4-Aminobenzimidazole - CAS 4331-29-7

Catalog:	BB025378
Product Name:	4-Aminobenzimidazole
CAS:	4331-29-7
Synonyms:	1H-benzimidazol-4-amine; 1H-benzimidazol-4-amine

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Computed Properties

IUPAC Name:	1H-benzimidazol-4-amine
Description:	4-Aminobenzimidazole (CAS# 4331-29-7) is a useful research chemical compound.
Molecular Weight:	133.15
Molecular Formula:	C7H7N3
Canonical SMILES:	C1=CC2=C(C(=C1)N)N=CN2
InChI:	InChI=1S/C7H7N3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,8H2,(H,9,10)
InChI Key:	NZJKEQFPRPAEPO-UHFFFAOYSA-N
Boiling Point:	476.1 °C at 760 mmHg
Density:	1.367 g/cm³
MDL:	MFCD01658254
LogP:	1.72630

Publication Number	Title	Priority Date
CN-110904473-A	5G antenna environment-friendly copper plating process	20191204
CN-110904473-B	5G antenna environment-friendly copper plating process	20191204
KR-20210067684-A	Methods for Preparing an Optimal Combination of Oligonucleotide Sets	20191129
WO-2021107640-A1	Methods for preparing an optimal combination of oligonucleotide sets	20191129
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106

PMID	Publication Date	Title	Journal
21895011	20111020	4-Aminobenzimidazole-1-methylthymine: a model for investigating Hoogsteen base-pairing between adenine and thymine	The journal of physical chemistry. A
16300408	20051129	Herpes simplex virus 1 primase employs watson-crick hydrogen bonding to identify cognate nucleoside triphosphates	Biochemistry
15379576	20040928	Human DNA primase uses Watson-Crick hydrogen bonds to distinguish between correct and incorrect nucleoside triphosphates	Biochemistry

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GHS Hazard Statement:	H302 (50%): 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:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.063997236
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	133.063997236
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8