CAS Registry Number: 36692-49-6

Name:

Benzoic acid, 3,​4-​diamino-​, methyl ester
3,​4-​Diaminobenzoic acid methyl ester; 4-​(Methoxycarbonyl)​-​1,​2-​benzenediamine; 4-​Carbomethoxy-​o-​phenylenediamine; 4-​Methoxycarbonyl-​o-​phenylenediamine; Methyl 3,​4-​diaminobenzenecarbox​ylate; Methyl 3,​4-​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)5-2-3-6(9)7(10)4-5/h2-4H,9-10H2,1H3
InChIKey: IOPLHGOSNCJOOO-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(C=C1)N)N

Specification

98%

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3. (3) Linden, Auri A.; Chemistry - A European Journal 2005, V11(1), P112-119 CAPLUS
4. (4) Yildiz-Oren, Ilkay; European Journal of Medicinal Chemistry 2004, V39(3), P291-298 CAPLUS
5. (5) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
6. (6) Lavigueur, Christine; Journal of the American Chemical Society 2008, V130(35), P11791-11800 CAPLUS