3-Nitrobenzylamine hydrochloride - CAS 26177-43-5

Catalog:	BB019176
Product Name:	3-Nitrobenzylamine hydrochloride
CAS:	26177-43-5
Synonyms:	(3-nitrophenyl)methanamine;hydrochloride

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Computed Properties

IUPAC Name:	(3-nitrophenyl)methanamine;hydrochloride
Description:	3-Nitrobenzylamine hydrochloride (CAS# 26177-43-5) is an intermediate in many organic syntheses.
Molecular Weight:	188.61
Molecular Formula:	C7H9ClN2O2
Canonical SMILES:	C1=CC(=CC(=C1)[N+](=O)[O-])CN.Cl
InChI:	InChI=1S/C7H8N2O2.ClH/c8-5-6-2-1-3-7(4-6)9(10)11;/h1-4H,5,8H2;1H
InChI Key:	DLZXLCHQWOZGSE-UHFFFAOYSA-N
Boiling Point:	294 ℃ at 760 mmHg
MDL:	MFCD00012858
LogP:	3.07900

Publication Number	Title	Priority Date
CN-110218191-A	A kind of compound and preparation method thereof and its application as c-Met inhibitor	20190626
CN-112125908-A	CDK kinase inhibitor, preparation method, pharmaceutical composition and application thereof	20190625
US-2020131431-A1	Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors	20181026
WO-2020086309-A1	Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors	20181026
CN-110835345-A	Degradation agent of cell cycle dependent kinase, preparation method thereof, pharmaceutical composition and application thereof	20180817

PMID	Publication Date	Title	Journal
6433022	19840901	Benzylamines: synthesis and evaluation of antimycobacterial properties	Journal of medicinal chemistry

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.0352552
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	188.0352552
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0