CAS:107582-20-7 / methyl 2,3-diaminobenzoate--Hangzhou Chempro Technology Co., Ltd.

CAS Number: 107582-20-7
methyl 2,3-diaminobenzoate

Structure
Name: methyl 2,3-diaminobenzoate
Synonyms:

General Information

Product Number: 107582207

CAS Registry Number: 107582-20-7

Name:

Benzoic acid, 2,3-diamino-, methyl ester

2,3-Diaminobenzoic acid methyl ester; Methyl 2,3-diaminobenzoate

Chemical Formula: C8H10N2O2

Exact Mass: 166.07

Molecular Weight: 166.18

m/z: 166.07 (100.0%), 167.08 (8.8%)

Elemental Analysis: C, 57.82; H, 6.07; N, 16.86; O, 19.26

InChI: InChI=1S/C8H10N2O2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,9-10H2,1H3

InChIKey: BLJHLOLVEXWHFS-UHFFFAOYSA-N

Canonical SMILES : COC(=O)C1=C(C(=CC=C1)N)N

Thermal Properties	Value	Condition	Note
Melting Point	63-65 °C		(1)CAS
Melting Point	63-64 °C		(4)CAS

Specification

98%

References

(1) Huang, Shu-Ting; Bioorganic & Medicinal Chemistry 2006, V14(17), P6106-6119 CAPLUS
(2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
(3) Jones, Philip; Journal of Medicinal Chemistry 2009, V52(22), P7170-7185 CAPLUS
(4) White, Alex W.; Journal of Medicinal Chemistry 2000, V43(22), P4084-4097 CAPLUS
(5) Lavigueur, Christine; Journal of the American Chemical Society 2008, V130(35), P11791-11800 CAPLUS

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