(1S,2S)-2-(Benzyloxy)cyclohexanamine - CAS 216394-07-9

Catalog:	BB017033
Product Name:	(1S,2S)-2-(Benzyloxy)cyclohexanamine
CAS:	216394-07-9
Synonyms:	(1S,2S)-2-phenylmethoxy-1-cyclohexanamine; (1S,2S)-2-phenylmethoxycyclohexan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	(1S,2S)-2-phenylmethoxycyclohexan-1-amine
Description:	(1S,2S)-2-(Benzyloxy)cyclohexanamine (CAS# 216394-07-9) is a useful research chemical.
Molecular Weight:	205.30
Molecular Formula:	C13H19NO
Canonical SMILES:	C1CCC(C(C1)N)OCC2=CC=CC=C2
InChI:	InChI=1S/C13H19NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2/t12-,13-/m0/s1
InChI Key:	NTHNRYLIXJZHRZ-STQMWFEESA-N
Boiling Point:	306.1 °C at 760 mmHg
Appearance:	Solid
MDL:	MFCD01075753
LogP:	3.17340

Publication Number	Title	Priority Date
CN-111072633-A	Preparation method of esomeprazole magnesium trihydrate	20191219
AU-2019301947-A1	3-(5-amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and their use in the treatment of I KAROS Family Zinc Finger 2 (IKZF2)-dependent diseases	20180710
CN-112334194-A	3- (5-amino-1-oxoisoindolin-2-yl) piperidine-2, 6-dione derivatives and their use in the treatment of IKAROS family Zinc finger 2(IKZF2) dependent diseases	20180710
TW-202012386-A	3-(5-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof	20180710
AU-2019301947-B2	3-(5-amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and their use in the treatment of I KAROS Family Zinc Finger 2 (IKZF2)-dependent diseases	20180710

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GHS Hazard Statement:	H302 (90.48%): 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:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	205.146664230
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.146664230
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2