Basic information
- CAS
39099-24-6- Standard SMILES
CC(C)CNC(C)C- InChIKey
PHQYHKHLCPPXKT-UHFFFAOYSA-N- Molecular formula
- C7H17N
- Average molar mass
- 115.22 g/mol
- Monoisotopic mass
- 115.13609955
Names & identifiers
- Preferred name
- 2-Methyl-N-(propan-2-yl)propan-1-amine
- IUPAC
- 2-methyl-N-propan-2-ylpropan-1-amine
- English name
- N-isobutyl-N-isopropylamine
- Molecular formula
- C7H17N
- Molecular weight
- 115.22
Names & synonyms
39099-24-6DTXSID404949292-methyl-N-(propan-2-yl)propan-1-amineRefChem:1063787DTXCID40445739N-isobutyl-N-isopropylamine(2-methylpropyl)(propan-2-yl)amineN-Isopropyl-2-methylpropan-1-amine2-methyl-N-propan-2-ylpropan-1-amineN-isopropyl-2-methyl-1-propanamineMFCD00071496N-(1-methylethyl)-2-methyl-1-propanamine
Show more names
Albb-004084N-isopropyl-2-methyl-1-propanamine(SALTDATA: HCl)
N-(Isopropyl-2-methyl)-1-propylamineN-isobutylisopropylamine1-Propanamine, 2-methyl-N-(1-methylethyl)-SCHEMBL91192SCHEMBL269701SCHEMBL367594SCHEMBL1488634PHQYHKHLCPPXKT-UHFFFAOYSA-N
Database identifiers
- CAS
39099-24-6- PubChem CID
- 12372890
- DTXSID
DTXSID40494929- Nikkaji
- J741.311D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 48.3
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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