Boc-2-hydroxy-2- (2-chlorophenyl) -ethylamine

CAT: 0926-JIA53020-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JIA53020-01Size:50 mg

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CAS Number

209530-20-1

MDL Number

MFCD09750553

Smiles

CC (C) (C) OC (=O) NCC (C1=CC=CC=C1Cl) O

Molecular Formula

C13H18ClNO3

Molecular Weight

271.74 g/mol

Controlled

Chemical Information

2-(Boc-amino)-1-(2-chlorophenyl)ethanol

CAS Number	209530-20-1
PubChem CID	57366756
IUPAC Name	tert-butyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate
Molecular Formula	C13H18ClNO3
Molecular Weight	271.74
XLogP	2.4
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	278

SMILES

CC(C)(C)OC(=O)NCC(C1=CC=CC=C1Cl)O

InChI

InChI=1S/C13H18ClNO3/c1-13(2,3)18-12(17)15-8-11(16)9-6-4-5-7-10(9)14/h4-7,11,16H,8H2,1-3H3,(H,15,17)

InChIKey

SIHVAMVTJAAEON-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 209530-20-1

CID: 57366756

Formula: C13H18ClNO3

MW: 271.74

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.74
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	271.0975211
Monoisotopic Mass	271.0975211
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	278
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FC157363-01	2- (2-Chlorophenyl) ethylamine
FC33754-01	2- (4-Chlorophenyl) ethylamine
FC43571-01	2- (3-Chlorophenyl) ethylamine
CAA49283-01	2- (4-chlorophenyl) ethylamine hcl
DCA58895	N-Boc-2-Cyano-ethylamine
DVD50174-01	(2-Aminoethyl) [ (2-chlorophenyl) methyl]ethylamine dihydrochloride
KCA37208-01	2- (4-Benzyloxy-2-methoxyphenyl) -2-hydroxy-ethylamine
DVD50713-01	(2-Aminoethyl) [ (4-chlorophenyl) methyl]ethylamine dihydrochloride
FH52913-01	2-Hydroxy-2- (3,4-dimethoxyphenyl) ethylamine hydrochloride
SCA34107	N-Boc-2-hydroxy-2-phenylethylamine

Catalog	Name
280012-01	2-Hydroxy-2- (2-chlorophenyl) ethylamine hydrochloride
sc-254036	2- (2-Chlorophenyl) ethylamine
C350520	2-(2-Chlorophenyl)ethylamine
OR451242	2- (N-Boc-piperazino) -2- (4-chlorophenyl) ethylamine
230365-01	2-Hydroxy-2- (2-chlorophenyl) ethylamine hydrochloride ≥96% (HPLC)
269525-01	2- (3-Chlorophenyl) ethylamine
269166-01	2- (4-Chlorophenyl) ethylamine
TRC-C377640-1G	2-(4-Chlorophenyl)ethylamine
267678-01	1- (2-Chlorophenyl) ethylamine
B2526-70	N-tert-Boc-2- (4-hydroxy-2-methoxyphenoxy) -ethylamine