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Ethyl trans-2-(4-Aminocyclohexyl)acetate Hydrochloride

Ethyl trans-2-(4-Aminocyclohexyl)acetate Hydrochloride - CAS 76308-26-4

Catalog:	BB035543
Product Name:	Ethyl trans-2-(4-Aminocyclohexyl)acetate Hydrochloride
CAS:	76308-26-4
Synonyms:	2-(4-aminocyclohexyl)acetic acid ethyl ester;hydrochloride; ethyl 2-(4-aminocyclohexyl)acetate;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 2-(4-aminocyclohexyl)acetate;hydrochloride
Description:	Ethyl trans-2-(4-Aminocyclohexyl)acetate Hydrochloride (CAS# 76308-26-4) is a useful research chemical.
Molecular Weight:	221.72
Molecular Formula:	C10H20ClNO2
Canonical SMILES:	CCOC(=O)CC1CCC(CC1)N.Cl
InChI:	InChI=1S/C10H19NO2.ClH/c1-2-13-10(12)7-8-3-5-9(11)6-4-8;/h8-9H,2-7,11H2,1H3;1H
InChI Key:	KBMWRCPPPDEVSJ-UHFFFAOYSA-N
LogP:	2.95940

Publication Number	Title	Priority Date
CN-213133085-U	High-pressure hydrogenation kettle for producing trans-4-aminocyclohexaneacetic acid ethyl ester hydrochloride	20200724
WO-2020264499-A1	Irak degraders and uses thereof	20190628
WO-2020251957-A1	Prostaglandin e2 receptor 4 antagonists and uses thereof	20190611
AU-2017292177-A1	Industrial process for the preparation of cariprazine	20160708
BR-112018077305-A2	process for the preparation of cariprazine, acid, and, compound.	20160708

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.1182566
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	221.1182566
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0