Methyl 4-Aminoindole-6-carboxylate - CAS 121561-15-7

Name: Methyl 4-Aminoindole-6-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB005206
Product Name:	Methyl 4-Aminoindole-6-carboxylate
CAS:	121561-15-7
Synonyms:	4-amino-1H-indole-6-carboxylic acid methyl ester; methyl 4-amino-1H-indole-6-carboxylate

Technical Data

IUPAC Name:	methyl 4-amino-1H-indole-6-carboxylate
Description:	Methyl 4-Aminoindole-6-carboxylate (CAS# 121561-15-7) is a useful research chemical.
Molecular Weight:	190.20
Molecular Formula:	C10H10N2O2
Canonical SMILES:	COC(=O)C1=CC2=C(C=CN2)C(=C1)N
InChI:	InChI=1S/C10H10N2O2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,11H2,1H3
InChI Key:	DJZJHJRWIVNSIT-UHFFFAOYSA-N
Boiling Point:	429.8 °C at 760 mmHg
Density:	1.339 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	2.11790

Publication Number	Title	Priority Date
CA-3016182-A1	Substituted indole mcl-1 inhibitors	20160304
EP-3423435-A1	Substituted indole mcl-1 inhibitors	20160304
WO-2017152076-A1	Substituted indole mcl-1 inhibitors	20160304
US-2021283138-A1	Substituted indole mcl-1 inhibitors	20160304
AU-2004299231-A1	Tricyclic indole hydroxyethylamine derivatives and their use in the treatment of Alzheimer's disease	20031212

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.074227566
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	190.074227566
Rotatable Bond Count:	2
Topological Polar Surface Area:	68.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2