Basic information
- CAS
38120-10-4- Standard SMILES
CC(C)CCOC(=O)c1ccc(N)cc1- InChIKey
DVPONJRILZFUGU-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Isopentyl 4-aminobenzoate
- IUPAC
- 3-methylbutyl 4-aminobenzoate
- English name
- isopentyl 4-aminobenzoate
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.26888
Names & synonyms
Isopentyl 4-aminobenzoateW2K7A643NZBenzoic acid, 4-amino-, 3-methylbutyl esterEINECS 253-789-0AI3-05690DTXSID301915311-BUTANOL, 3-METHYL-, 1-(4-AMINOBENZOATE)RefChem:149719DTXCID70114022253-789-03-methylbutyl 4-aminobenzoate38120-10-4
Show more names
3-Methyl-1-butanol 4-aminobenzoate
1-Butanol, 3-methyl-,1-(4-aminobenzoate)UNII-W2K7A643NZSCHEMBL6748144SBB084120AKOS005157250NS00030340
Database identifiers
- CAS
38120-10-4- PubChem CID
- 210327
- DTXSID
DTXSID30191531- UNII
- W2K7A643NZ
- EC Number
- 253-789-0
- Nikkaji
- J294.593B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- FDA UNII
- 2 K7A643NZ · W2K7A643NZ
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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