Benzoic acid, 5-amino-2-butoxy-
Basic information
- CAS
13737-90-1- Standard SMILES
CCCCOc1ccc(N)cc1C(=O)O- InChIKey
FOHJNOOCTRAVRJ-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- Benzoic acid, 5-amino-2-butoxy-
- IUPAC
- 5-amino-2-butoxybenzoic acid
Names & synonyms
5-Amino-2-butoxybenzoic acidBENZOIC ACID, 5-AMINO-2-BUTOXY-13737-90-1M & B 8606BRN 2971410DTXSID10160149RefChem:327671DTXCID6082640orb1986418SCHEMBL9363457MFCD01660273AKOS009474866
Show more names
T30388
Database identifiers
- CAS
13737-90-1- PubChem CID
- 26237
- DTXSID
DTXSID10160149- Nikkaji
- J2.396.467H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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