2-(4-(2-Methylpropyl)phenyl)propanoic acid--2-methylpropan-2-amine (1/1)
Basic information
- CAS
81928-86-1- Standard SMILES
CC(C)(C)N.CC(C)Cc1ccc(C(C)C(=O)O)cc1- InChIKey
BRCHLGKOLGUQAI-UHFFFAOYSA-N- Molecular formula
- C17H29NO2
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.21982917
Names & identifiers
- Preferred name
- 2-(4-(2-Methylpropyl)phenyl)propanoic acid--2-methylpropan-2-amine (1/1)
- IUPAC
- 2-methylpropan-2-amine;2-[4-(2-methylpropyl)phenyl]propanoic acid
Names & synonyms
81928-86-1DTXSID6010023202-(4-(2-Methylpropyl)phenyl)propanoic acid--2-methylpropan-2-amine (1/1)2-[4-(2-Methylpropyl)phenyl]propanoic acid--2-methylpropan-2-amine (1/1)RefChem:1061140DTXCID301429256
Database identifiers
- CAS
81928-86-1- PubChem CID
- 158013
- DTXSID
DTXSID601002320
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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