Ethyl 4-aminocyclohexanecarboxylate

HCID 409963
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Basic information

CAS
3685-28-7
Standard SMILES
CCOC(=O)C1CCC(N)CC1
InChIKey
WASRJUXSLHUONH-UHFFFAOYSA-N
Molecular formula
C9H17NO2
Average molar mass
171.24 g/mol

Names & identifiers

Preferred name
Ethyl 4-aminocyclohexanecarboxylate
IUPAC
ethyl 4-aminocyclohexane-1-carboxylate
English name
cis-Ethyl 4-aMinocyclohexanecarboxylate
Molecular formula
C9H17NO2
Molecular weight
171.24

Names & synonyms

Ethyl 4-aminocyclohexanecarboxylate1678-68-83685-28-7cis-Ethyl 4-aminocyclohexanecarboxylatetrans-Ethyl 4-aminocyclohexanecarboxylateethyl 4-aminocyclohexane-1-carboxylate4-AMINO-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTERCIS-4-AMINO-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTERTRANS-4-AMINOCYCLOHEXANE CARBOXYLIC ACID ETHYL ESTERETHYL TRANS-4-AMINOCYCLOHEXANECARBOXYLATEMFCD01995051ethyl (1s,4s)-4-aminocyclohexane-1-carboxylate
Show more names
(cis-4-Carboethoxycyclohexyl)amineEthyl cis-4-amino-1-cyclohexanecarboxylatecis-4-Aminocyclohexanecarboxylic acid ethyl estercis-?Ethyl 4-?aminocyclohexanecarb?oxylate HCl salt22-cis-4-aminocyclohexanecarboxylic acid Ethyl esterCyclohexanecarboxylic acid, 4-amino-, ethyl ester,cis-
Cyclohexanecarboxylic acid, 4-amino-, ethyl ester, trans-MFCD01333991Ethyl cis-4-aminocyclohexanecarboxylateMFCD01333987ETHYL (1R,4R)-4-AMINOCYCLOHEXANE-1-CARBOXYLATEcis-ethyl 4-aminocyclohexane-1-carboxylateethyl cis-4-aminocyclohexanoatetrans-Ethyl4-aminocyclohexanecarboxylate

Database identifiers

CAS
3685-28-7
PubChem CID
409963
DTXSID
DTXSID201203631
Nikkaji
J2.155.636J、J2.229.589F

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Melting point
193 · 193-194℃ (ethanol )
Boiling point
235.3 · 235.3±33.0 °C(Predicted)
Density
1.018 · 1.018±0.06 g/cm3(Predicted)
pka
10.36 · 10.36±0.70(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Suppliers23 total

海济医药科技（苏州）有限公司18012778619 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]
泰州精英化成医药科技有限公司523-86810021 18921709486 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]

Related reactions

35 records
New reaction record

Compound notes

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