(S)-2-Amino-1,1-diphenyl-1-propanol - CAS 78603-91-5

Catalog:	BB036205
Product Name:	(S)-2-Amino-1,1-diphenyl-1-propanol
CAS:	78603-91-5
Synonyms:	(2S)-2-amino-1,1-diphenyl-1-propanol; (2S)-2-amino-1,1-diphenylpropan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	(2S)-2-amino-1,1-diphenylpropan-1-ol
Description:	(S)-2-Amino-1,1-diphenyl-1-propanol (CAS# 78603-91-5 ) is a useful research chemical.
Molecular Weight:	227.30
Molecular Formula:	C15H17NO
Canonical SMILES:	CC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N
InChI:	InChI=1S/C15H17NO/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,17H,16H2,1H3/t12-/m0/s1
InChI Key:	FMBMNSFOFOAIMZ-LBPRGKRZSA-N
Boiling Point:	407.8 °C at 760 mmHg
Density:	1.112 g/cm³
Appearance:	Beige powder
MDL:	MFCD00145253
LogP:	2.97000

Publication Number	Title	Priority Date
WO-2020077140-A1	Processes for preparing functionalized cyclooctenes	20181010
CN-113473975-A	Process for preparing functionalized cyclooctenes	20181010
EP-3863612-A1	Processes for preparing functionalized cyclooctenes	20181010
WO-2019243087-A1	Enzymatic process for the preparation of droxidopa	20180621
US-2021163401-A1	Enzymatic process for the preparation of droxidopa	20180621

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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:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	227.131014166
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	227.131014166
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2