Basic information
- CAS
17945-54-9- Standard SMILES
CCOC(=O)CC(C)(C)NCc1ccccc1- InChIKey
AYVCXYHRYDQWIC-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- Ethyl 3-(benzylamino)-3-methylbutanoate
- IUPAC
- ethyl 3-(benzylamino)-3-methylbutanoate
- English name
- ethyl 3-(benzylaMino)-3-Methylbutanoate
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32
Names & synonyms
ethyl 3-(benzylamino)-3-methylbutanoate17945-54-9MFCD18206360Butanoic acid, 3-methyl-3-[(phenylmethyl)amino]-, ethyl esterNSC150323SCHEMBL1344175DTXSID10302340YQF3721AYVCXYHRYDQWIC-UHFFFAOYSA-Nethyl 3-benzylamino-3-methylbutyrateAKOS015924525DS-9680
Show more names
NSC 150323Ethyl 3-(benzylamino)-3-methylbutyrateethyl 3-(benzylamino)-3-methylbutanoate hydrochlorideN-(Phenylmethyl)-beta,beta-dimethyl-beta-alanine ethyl ester
ethyl3-(benzylamino)-3-methylbutanoateNSC-150323DB-370280CS-01516193-benzylamino-3-methylbutyric acid ethyl esterI11773ETHYL 3-(BENZYLAMINO)-3-METHYL-BUTANOATEF461498
Database identifiers
- CAS
17945-54-9- PubChem CID
- 288946
- DTXSID
DTXSID10302340
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 327.86 · 327.860±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.007 · 1.007±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.646 · 8.646±0.29(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers18 total
上海挺宠生物科技有限公司021-18964309092 18964309092 · [email protected]
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Related reactions
7 records
Compound notes
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