Basic information
- CAS
68413-94-5- Standard SMILES
NCCCNCC=CCNCCCN- InChIKey
QIMQRAOUTRFLRN-UHFFFAOYSA-N- Molecular formula
- C10H24N4
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.20009678
Overview
See also: 2-Butene-1,4-diamine, N1,N4-bis(3-aminopropyl)- (annotation moved to).
Names & identifiers
- Preferred name
- 2-Butene-1,4-diamine, N,N'-bis(3-aminopropyl)-
- IUPAC
- N,N'-bis(3-aminopropyl)but-2-ene-1,4-diamine
Names & synonyms
DTXSID7071529RefChem:257884DTXCID80459892-Butene-1,4-diamine, N,N'-bis(3-aminopropyl)-68413-94-5N,N'-bis(3-aminopropyl)but-2-ene-1,4-diamineSCHEMBL2515527NS00036596
Database identifiers
- CAS
68413-94-5- PubChem CID
- 110236
- DTXSID
DTXSID7071529
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 111
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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