Basic information
- CAS
6300-78-3- Standard SMILES
CCCCC(N)(CC)C(=O)O- InChIKey
QUDXVGQYPUXXER-UHFFFAOYSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.12592879
Names & identifiers
- Preferred name
- 2-Amino-2-ethylhexanoic acid
- IUPAC
- 2-amino-2-ethylhexanoic acid
- English name
- (S)-2-AMINO-2-ETHYLHEXANOIC ACID
- Molecular formula
- C8H17NO2
- Molecular weight
- 159.23
Names & synonyms
2-Amino-2-ethylhexanoic acid114781-15-62-Amino-2-ethyl-hexanoic acidNSC44106ethyl a-aminocaproateSCHEMBL6666220NSC-44106AKOS013262727SB30852Norleucine, 2-ethyl-DL-Norleucine, 2-ethyl-QUDXVGQYPUXXER-UHFFFAOYSA-N
Show more names
(S)-2-AMINO-2-ETHYLHEXANOIC ACID
Database identifiers
- CAS
6300-78-3- PubChem CID
- 413012
- Nikkaji
- J347.989G
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 260.862 · 260.862±23.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.002 · 1.002±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.584 · 2.584±0.44(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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