Basic information
- CAS
35879-53-9- Standard SMILES
CCOC(=O)C1CCC(CN)CC1- InChIKey
YKPFISPUYINSAF-KYZUINATSA-N- Molecular formula
- C10H19NO2
- Average molar mass
- 185.26 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
- IUPAC
- ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
- English name
- Ethyl 4-(aminomethyl)cyclohexanecarboxylate
- Molecular formula
- C10H19NO2
- Molecular weight
- 185.26
Names & synonyms
35879-53-9Ethyl 4-(aminomethyl)cyclohexane-1-carboxylateDTXSID70468173RefChem:343746DTXCID30418992trans-Ethyl 4-(aminomethyl)cyclohexanecarboxylate(1R,4R)-ETHYL 4-(AMINOMETHYL)CYCLOHEXANECARBOXYLATEETHYL 4-(AMINOMETHYL)CYCLOHEXANECARBOXYLATE104571-72-4cis-Ethyl 4-(aminomethyl)cyclohexanecarboxylateethyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate53676-39-4
Show more names
Ethyl trans-4-(aminomethyl)cyclohexanecarboxylatetrans-4-(Aminomethyl)cyclohexanecarboxylic acid ethyl esterCyclohexanecarboxylic acid, 4-(aminomethyl)-, ethyl ester,trans-
ETHYL4-(AMINOMETHYL)CYCLOHEXANECARBOXYLATESCHEMBL688602orb3175570SCHEMBL5789042CHEMBL3139202YKPFISPUYINSAF-KYZUINATSA-NAKOS006309969AKOS015969498
Database identifiers
- CAS
35879-53-9- PubChem CID
- 11535692
- DTXSID
DTXSID70468173- ChEMBL
CHEMBL3139202
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 259.3 · 259.3±13.0 °C(Predicted)
- Density
- 0.999 · 0.999±0.06 g/cm3(Predicted)
- pka
- 10.27 · 10.27±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
泰州精英化成医药科技有限公司523-86810021 18921709486 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
泰迩生物医药泰州有限公司052386810091 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Pharmahands (Taizhou) Co., Ltd.
Related reactions
4 records
Compound notes
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