3-Amino-2-phenyl-1-propanol - CAS 62247-39-6

Catalog:	BB031484
Product Name:	3-Amino-2-phenyl-1-propanol
CAS:	62247-39-6
Synonyms:	3-amino-2-phenyl-1-propanol; 3-amino-2-phenylpropan-1-ol

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Computed Properties

IUPAC Name:	3-amino-2-phenylpropan-1-ol
Description:	3-Amino-2-phenyl-1-propanol (CAS# 62247-39-6) is used in the preparation of thazolinones as potent CDK1 inhibitors promoting antitumor activity. It is also used in the synthesis of gonadotropin-releasing hormone receptor antagonists which affect the endocrine system, suppressing hormone release.
Molecular Weight:	151.21
Molecular Formula:	C9H13NO
Canonical SMILES:	C1=CC=C(C=C1)C(CN)CO
InChI:	InChI=1S/C9H13NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2
InChI Key:	DIVZNCUPEGZSEI-UHFFFAOYSA-N
LogP:	1.42150

Publication Number	Title	Priority Date
WO-2021086785-A1	Bifunctional compounds	20191028
WO-2019232269-A1	Rapidly released bioorthogonal caging groups	20180530
EP-3801896-A1	Rapidly released bioorthogonal caging groups	20180530
US-2021205461-A1	Rapidly Released Bioorthogonal Caging Groups	20180530
WO-2019191327-A1	Ox2r compounds	20180327

PMID	Publication Date	Title	Journal
19014506	20081112	Activation instead of blocking mesolimbic dopaminergic reward circuitry is a preferred modality in the long term treatment of reward deficiency syndrome (RDS): a commentary	Theoretical biology & medical modelling

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GHS Hazard Statement:	H302 (100%): 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:	99.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.099714038
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	151.099714038
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3