3-(Aminomethyl)benzyl Alcohol - CAS 34231-22-6

Catalog:	BB022015
Product Name:	3-(Aminomethyl)benzyl Alcohol
CAS:	34231-22-6
Synonyms:	[3-(aminomethyl)phenyl]methanol; [3-(aminomethyl)phenyl]methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[3-(aminomethyl)phenyl]methanol
Description:	3-(Aminomethyl)benzyl Alcohol (CAS# 34231-22-6) is a useful research chemical.
Molecular Weight:	137.18
Molecular Formula:	C8H11NO
Canonical SMILES:	C1=CC(=CC(=C1)CO)CN
InChI:	InChI=1S/C8H11NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,10H,5-6,9H2
InChI Key:	KCTYUINIEPILPS-UHFFFAOYSA-N
Boiling Point:	277.943 °C at 760 mmHg
Density:	1.113 g/cm³
MDL:	MFCD06212981
LogP:	1.33790

Publication Number	Title	Priority Date
CN-113292510-A	Benzisothiazole compound for inhibiting hypoxia inducible factor 2 activity, preparation method and application thereof	20210607
WO-2021194318-A1	Plk1 selective degradation inducing compound	20200327
WO-2021005586-A1	Tricyclic akr1c3 dependent kars inhibitors	20190801
CN-109721603-A	A kind of hypoxemia targets neoplastic cells DNA repair enzyme MGMT inhibitor and the preparation method and application thereof	20181229
CN-109721603-B	Hypoxia-targeted tumor cell DNA repair enzyme MGMT inhibitor and preparation method and application thereof	20181229

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	95.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.084063974
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	137.084063974
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1