3-(Benzylamino)-1-propanol - CAS 4720-29-0

Catalog:	BB026233
Product Name:	3-(Benzylamino)-1-propanol
CAS:	4720-29-0
Synonyms:	3-[(phenylmethyl)amino]-1-propanol; 3-(benzylamino)propan-1-ol

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Computed Properties

IUPAC Name:	3-(benzylamino)propan-1-ol
Description:	3-(Benzylamino)-1-propanol (CAS# 4720-29-0) is a compound useful in organic synthesis.
Molecular Weight:	165.23
Molecular Formula:	C10H15NO
Canonical SMILES:	C1=CC=C(C=C1)CNCCCO
InChI:	InChI=1S/C10H15NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2
InChI Key:	ZQJXSIOFSZYGMH-UHFFFAOYSA-N
Boiling Point:	289.8 °C at 760 mmHg
Density:	1.022 g/cm³
Appearance:	Colorless liquid
LogP:	1.54950

Publication Number	Title	Priority Date
WO-2021053158-A1	Novel histone methyltransferase inhibitors	20190918
WO-2020140054-A1	Cyclin-dependent kinase inhibitors	20181228
KR-20210032431-A	Specific (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepan-2-carboxamide for treatment of lupus nephritis	20180717
KR-20210032439-A	Specific (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepan-2-carboxamide for treating inflammatory bowel disease	20180717
US-2021252015-A1	Certain (2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides for treating inflammatory bowel disease	20180717

PMID	Publication Date	Title	Journal
11862664	20010801	[A novel pyridazino-fused ring system: synthesis of pyridazino[3,4-b]diazepam]	Acta pharmaceutica Hungarica

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GHS Hazard Statement:	H302 (84.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	100
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.115364102
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.115364102
Rotatable Bond Count:	5
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1