Methyl 3-(butylamino)-2-methylpropanoate
Basic information
- CAS
13604-68-7- Standard SMILES
CCCCNCC(C)C(=O)OC- InChIKey
XCJWRETXXFSHHL-UHFFFAOYSA-N- Molecular formula
- C9H19NO2
- Average molar mass
- 173.25 g/mol
- Monoisotopic mass
- 173.14157885
Names & identifiers
- Preferred name
- Methyl 3-(butylamino)-2-methylpropanoate
- IUPAC
- methyl 3-(butylamino)-2-methylpropanoate
- English name
- Methyl 3-(butylamino)-2-methylpropanoate
- Molecular formula
- C9H19NO2
- Molecular weight
- 173.25
Names & synonyms
methyl 3-(butylamino)-2-methylpropanoate13604-68-7DTXSID90286811RefChem:354736DTXCID40237959MFCD08234500Propanoic acid,3-(butylamino)-2-methyl-, methyl esterNSC47798NSC-47798AKOS008962865methyl 3-(butylamino)-2-methyl-propanoateN-butyl-2-methyl-beta-alanine methyl ester
Show more names
2-methyl-3-butylaminopropionic acid methyl esterPropanoic acid, 3-(butylamino)-2-methyl-, methyl ester
Database identifiers
- CAS
13604-68-7- PubChem CID
- 240905
- DTXSID
DTXSID90286811- Nikkaji
- J1.992.104B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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