Diethyl N-(4-methylaminobenzoyl)-L-glutamate - CAS 2378-95-2

Name: Diethyl N-(4-methylaminobenzoyl)-L-glutamate
Brand: BOC Sciences
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Catalog:	BB044241
Product Name:	Diethyl N-(4-methylaminobenzoyl)-L-glutamate
CAS:	2378-95-2
Synonyms:	N-(p-Methylaminobenzoyl)glutamic acid diethyl ester; (S)-Diethyl 2-(4-(methylamino)benzamido)pentanedioate

Technical Data

IUPAC Name:	diethyl (2S)-2-[[4-(methylamino)benzoyl]amino]pentanedioate
Description:	Diethyl N-(4-methylaminobenzoyl)-L-glutamate (CAS# 2378-95-2 ) is a useful research chemical.
Molecular Weight:	336.38
Molecular Formula:	C17H24N2O5
Canonical SMILES:	CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC
InChI:	InChI=1S/C17H24N2O5/c1-4-23-15(20)11-10-14(17(22)24-5-2)19-16(21)12-6-8-13(18-3)9-7-12/h6-9,14,18H,4-5,10-11H2,1-3H3,(H,19,21)/t14-/m0/s1
InChI Key:	WBYNXAAEBPJETG-AWEZNQCLSA-N
Boiling Point:	518.3±50.0 °C at 760 mmHg
Density:	1.2±0.1 g/cm³

GHS Hazard Statement:	H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H341 (75%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]; H361 (75%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement:	P203, P261, P264, P270, P271, P280, P281, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501
Signal Word:	Warning

Complexity:	419
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	336.16852187
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	336.16852187
Rotatable Bond Count:	11
Topological Polar Surface Area:	93.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1