Basic information
- CAS
39979-08-3- Standard SMILES
COC(=O)CCCCCCN- InChIKey
AZRQWZVPEAHOOA-UHFFFAOYSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.12592878
Names & identifiers
- Preferred name
- Methyl 7-aminoheptanoate
- IUPAC
- methyl 7-aminoheptanoate
- English name
- 7-Aminoheptanoic acid methyl ester
- Molecular formula
- C8H17NO2
- Molecular weight
- 159.23
Names & synonyms
Methyl 7-aminoheptanoate39979-08-3DTXSID20454561RefChem:356389DTXCID104053807-aminoheptanoic acid methyl esterMFCD08449741Heptanoic acid, 7-amino-, methyl ester7-Amino-heptanoic acid methyl estermethyl7-aminoheptanoatemethyl-7-aminoheptanoateorb3175839
Show more names
SCHEMBL1147174SCHEMBL7604617AZRQWZVPEAHOOA-UHFFFAOYSA-NAKOS009122506BS-13434DB-014819EN300-27615F19219
Database identifiers
- CAS
39979-08-3- PubChem CID
- 11084159
- DTXSID
DTXSID20454561
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 211 ℃ · 211℃
- Density
- 0.949 · 0.949
- Flash point
- 81 ℃ · 81℃
- pka
- 10.58 · 10.58±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers16 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
泰州葛林美克医药科技有限公司15366892466
苏州启航生物科技有限公司18151111370 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
济南铭雅医药科技有限公司0531-85828981 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
泰州葛林美克医药科技有限公司0514-86654616 15366892466 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海慧慈医药科技有限公司133-31922809 19372841038 · [email protected]
Related reactions
11 records
Compound notes
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