Ethyl 1-aminocyclohexanecarboxylate

HCID 222863
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Basic information

CAS
1664-34-2
Standard SMILES
CCOC(=O)C1(N)CCCCC1
InChIKey
KUAFMPWKUNNUEC-UHFFFAOYSA-N
Molecular formula
C9H17NO2
Average molar mass
171.24 g/mol
Monoisotopic mass
171.12592878

Names & identifiers

Preferred name
Ethyl 1-aminocyclohexanecarboxylate
IUPAC
ethyl 1-aminocyclohexane-1-carboxylate
English name
1-Aminocyclohexanecarboxylic acid ethyl ester
Molecular formula
C9H17NO2
Molecular weight
171.24

Names & synonyms

1664-34-2ethyl 1-aminocyclohexanecarboxylateethyl 1-aminocyclohexane-1-carboxylate1-AMINO-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTERMFCD105661101-aminocyclohexanecarboxylic acid ethyl esterNSC9878SCHEMBL1837607SCHEMBL8396983ethyl1-aminocyclohexanecarboxylateDTXSID30278750KUAFMPWKUNNUEC-UHFFFAOYSA-N
Show more names
1-amino-1-cyclohexanecarboxylic acid ethyl esterCyclohexanecarboxylic acid, 1-amino-, ethyl ester
NSC 9878NSC-9878STL191436AKOS009265701Ethyl-1-aminocyclohexane-1-carboxylateSB34146aminocyclohexanecarboxylic acid ethyl esterDB-064612

Database identifiers

CAS
1664-34-2
PubChem CID
222863
DTXSID
DTXSID30278750
Nikkaji
J80.277H

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Boiling point
110 °C · 110 °C(Press: 15 Torr)
Density
1.028 · 1.028±0.06 g/cm3(Predicted)
pka
7.39 · 7.39±0.70(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers14 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Aladdin Scientific[email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
台州川旭医药科技有限公司[email protected] · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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