3-Hydroxybenzylamine hydrochloride

CAT: 0926-FH67842-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FH67842-01Size:10 g

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CAS Number

13269-15-3

Synonyms

3- (Aminomethyl) phenol hydrochloride

MDL Number

MFCD06797944

Smiles

C1=CC (=CC (=C1) O) CN.Cl

Molecular Formula

C7H9NO·HCl

Molecular Weight

159.61 g/mol

Controlled

Chemical Information

3-(Aminomethyl)phenol hydrochloride

CAS Number	13269-15-3
PubChem CID	22058427
IUPAC Name	3-(aminomethyl)phenol;hydrochloride
Molecular Formula	C7H10ClNO
Molecular Weight	159.61
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	85

SMILES

C1=CC(=CC(=C1)O)CN.Cl

InChI

InChI=1S/C7H9NO.ClH/c8-5-6-2-1-3-7(9)4-6;/h1-4,9H,5,8H2;1H

InChIKey

WNOPIURUTIVUBE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13269-15-3

CID: 22058427

Formula: C7H10ClNO

MW: 159.61

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	159.61
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	159.0450916
Monoisotopic Mass	159.0450916
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	85
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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