7-Amino-1-methylindole - CAS 102308-54-3

Catalog:	BB000835
Product Name:	7-Amino-1-methylindole
CAS:	102308-54-3
Synonyms:	1-methyl-7-indolamine; 1-methylindol-7-amine

Technical Data

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Computed Properties

IUPAC Name:	1-methylindol-7-amine
Description:	7-Amino-1-methylindole (CAS# 102308-54-3) is a useful research chemical.
Molecular Weight:	146.19
Molecular Formula:	C9H10N2
Canonical SMILES:	CN1C=CC2=C1C(=CC=C2)N
InChI:	InChI=1S/C9H10N2/c1-11-6-5-7-3-2-4-8(10)9(7)11/h2-6H,10H2,1H3
InChI Key:	HDRIGWFONQYMGI-UHFFFAOYSA-N
LogP:	2.34170

Publication Number	Title	Priority Date
WO-2019183358-A2	Whole cell processes to produce nitroaromatics	20180321
US-2021108237-A1	Whole cell processes to produce nitroaromatics	20180321
US-2021139522-A1	Antimicrobial compounds, compositions, and uses thereof	20170310
EP-3532492-A1	Highly active self-sufficient nitration biocatalysts	20161026
US-2019292527-A1	Highly active self-sufficient nitration biocatalysts	20161026

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.084398327
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.084398327
Rotatable Bond Count:	0
Topological Polar Surface Area:	31 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3