CAS 87-52-5 MFCD00005629-Gramine 芦竹碱 TAO{mole}

Gramine 芦竹碱

CAS 87-52-5 MFCD00005629

化学结构图

SMILES: CN(C)Cc1c[nH]c2ccccc12

化学属性

Mol. Formula	C11H14N2
Mol. Weight	174.24
Melting Point	131-134°C
Flash Point	167°C
Solubility	难溶
Density	0.7692
Appearance	叶片状或针状结晶。熔点138-139℃，溶于醇、醚、氯仿，微溶于冷丙酮，几乎不溶于水和石油醚。
Boiling Point	293.9°C at 760 mmHg

别名和识别编码

Chemical Name	Gramine
MDL Number	MFCD00005629
CAS Number	87-52-5
Synonym	Gramine {LY} Gramine {} {LY} Gramine {} {} {LY} Gramine {} {} {} {LY} Gramine {} {} {} {} {LY} Gramine {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	6890
Beilstein Registry Number	140521
EC Number	201-749-8
Reaxys-RN	140521
Merck Number	4533
Chemical Name Translation	芦竹碱
Wiswesser Line Notation	T56 BMJ D1N1&1
LabNetwork Molecule ID	LN00197314
InChI	InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
Canonical SMILES	CN(C)CC1=CNC2=C1C=CC=C2

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产品应用

该品是合成色氨酸的中间体。

安全信息

WGK Germany3

RTECSNL7525000

Signal word

Hazard statements

H315 Causes skin irritation 会刺激皮肤

Precautionary statements

P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338
P332+P313
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P301+P330+P331
P305+P351+P338+P337+P313

GHS Symbol

Safety Statements

Risk Statements

Hazard Codes C

Storage condition 2-8°C {LY} 2-8°C Refrigerator (+4°C) {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,11,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 122 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PSYPAG Psychopharmacologia (Berlin).  (Berlin, Ger.)  V.1-46, 1959-76.  For
   publisher information, see PSCHDL.  Volume(issue)/page/year: 16,385,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 46 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 105,130,1952

其他信息

溶于醇、醚、氯仿，微溶于冷丙酮，几乎不溶于水和石油醚。
用途一:该品是合成色氨酸的中间体。
Acros Organics:芦竹碱 Gramine, 99%(87-52-5)
MOL 文件:87-52-5.mol
上游原料:二甲胺 --> 吲哚
Sigma Aldrich:87-52-5(sigmaaldrich)
方法一:由吲哚与甲醛、二甲胺缩合而得。将二甲胺冷至-5℃，加至冰醋酸中。在温度不超过5℃的条件下，加入甲醛、吲哚，在30-40℃反应8h，冷至5℃，用40%氢氧化钠调节pH等于1，冷却出芦竹碱结晶。过滤，水洗，抽干后将此粗品用丙酮加热溶解，冷却、析出结晶、过滤、干燥，得成品。
图谱信息:芦竹碱(87-52-5)核磁图( 13 CNMR) 芦竹碱(87-52-5)红外图谱(IR2) 芦竹碱(87-52-5)质谱(MS) 芦竹碱(87-52-5)红外图谱(IR1)
TCI Shanghai:芦竹碱 Gramine,>;98.0%(T)(87-52-5)
芦竹碱价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 D0653 芦竹碱 Gramine 25G 297元 2010/06/21 120185000 芦竹碱 Gramine 99% 500 GR 3184元 2010/06/21 120180100 芦竹碱 Gramine 99% 10 GR 163元
下游产品:DL-色氨酸
MSDS 信息:3-(Dimethylaminomethyl)indole(87-52-5).msds