CAS 3130-75-4 MFCD00196079-4-Phthalimidobutyric acid, 97% 4-苯二甲酰亚氨基丁酸 TAO{mole}

4-Phthalimidobutyric acid, 97% 4-苯二甲酰亚氨基丁酸

CAS 3130-75-4 MFCD00196079

化学结构图

SMILES: O=C(O)CCCN1C(=O)c2ccccc2C1=O

化学属性

Mol. Formula	C12H11NO4
Mol. Weight	233.22
Melting Point	119-121°C
Boiling Point	442.1°C at 760 mmHg

别名和识别编码

Chemical Name	4-Phthalimidobutyric acid, 97%
CAS Number	3130-75-4
Alfabeta Name	DIOXODIHYDROISOINDOLYLBUTANOICACID H4131322()--------,,
MDL Number	MFCD00196079
Chemical Name Translation	4-苯二甲酰亚氨基丁酸
Synonym	O-Phthalimide-C3-acid {LY} O-Phthalimide-C3-acid {} {LY} O-Phthalimide-C3-acid {} {} {LY} O-Phthalimide-C3-acid {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C3-acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phthalimide-C
Reaxys-RN	208243
PubChem Substance ID	18411
Wiswesser Line Notation	T56 BVNVJ C3VQ
Beilstein Registry Number	208243
InChIKey	HMKSXJBFBVGLJJ-UHFFFAOYSA-N
LabNetwork Molecule ID	LN00142515
InChI	InChI=1S/C12H11NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,3,6-7H2,(H,14,15)
Canonical SMILES	C1=CC=C2C(=C1)C(=O)N(CCCC(=O)O)C2=O

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安全信息

Warnings IRRITANT

Hazard Codes Xi

RTECSNR3459000

Signal word Warning

GHS Symbol

Hazard statements

H302 Harmful if swallowed 吞食有害
H312 Harmful in contact with skin 皮肤接触有害
H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H332 Harmful if inhaled 吸入有害
H335 May cause respiratory irritation 可能导致呼吸道刺激

Precautionary statements

P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P362+P364
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。
P305+P351+P338
P337+P313
P302+P352
P332+P313

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 327 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   IJEBA6 Indian Journal of Experimental Biology.  (Publications & Information
   Directorate, CSIR, Hillside Rd., New Delhi 110 012, India)  V.1-    1963-
   Volume(issue)/page/year: 27,805,1989

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 400 mg/kg
SEX/DURATION            : female 9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Specific Developmental Abnormalities - other developmental
   abnormalities
REFERENCE :
   PHARAT Pharmazie.  (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18,
   Berlin DDR-1020, Ger. Dem. Rep.)  V.1-    1946-  Volume(issue)/page/year:
   28,680,1973

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5

H-bond Acceptors

Rotatable Bonds

H-bond Donors

LogP

9.659000000000000e-001

其他信息

MOL 文件:3130-75-4.mol