trans-2-(Aminomethyl)cyclohexanol - CAS 5691-09-8

Catalog:	BB029528
Product Name:	trans-2-(Aminomethyl)cyclohexanol
CAS:	5691-09-8
Synonyms:	(1R,2S)-2-(aminomethyl)-1-cyclohexanol; (1R,2S)-2-(aminomethyl)cyclohexan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	(1R,2S)-2-(aminomethyl)cyclohexan-1-ol
Description:	trans-2-(Aminomethyl)cyclohexanol (CAS# 5691-09-8 ) is a useful research chemical.
Molecular Weight:	129.20
Molecular Formula:	C7H15NO
Canonical SMILES:	C1CCC(C(C1)CN)O
InChI:	InChI=1S/C7H15NO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-5,8H2/t6-,7+/m0/s1
InChI Key:	JGKFBZBVCAWDFD-NKWVEPMBSA-N
Boiling Point:	226.4 °C at 760 mmHg
MDL:	MFCD00145420
LogP:	1.19650

Publication Number	Title	Priority Date
RU-2610352-C1	Method for determination of enantiomeric excess of chiral compounds (versions)	20151106
WO-2017078570-A1	Method for determining enantiomeric excess of chiral compounds (variants)	20151106
WO-2016144797-A1	Alpha 7 nicotinic acetylcholine receptor allosteric modulators, their derivatives and uses thereof	20150306
AU-2016205187-A1	Concise synthesis of urea derivatives of amphotericin B	20150108
AU-2016205187-B2	Concise synthesis of urea derivatives of amphotericin B	20150108

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	129.115364102
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	129.115364102
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9