N-(3-Methyl-2-buten-1-yl)guanidine
Basic information
- CAS
543-83-9- Standard SMILES
CC(C)=CCN=C(N)N- InChIKey
UVMLHMAIUVSYOL-UHFFFAOYSA-N- Molecular formula
- C6H13N3
- Average molar mass
- 127.19 g/mol
- Monoisotopic mass
- 127.11094743
Overview
Galegine is a member of guanidines.
Names & identifiers
- Preferred name
- N-(3-Methyl-2-buten-1-yl)guanidine
- IUPAC
- 2-(3-methylbut-2-enyl)guanidine
- English name
- galegine
- Molecular formula
- C6H13N3
- Molecular weight
- 127.19
Names & synonyms
Galegine543-83-92-(3-methylbut-2-enyl)guanidineGaleginN-3,3-DimethylallylguanidineR469KQG1EFisoamylene guanidinedimethylallylguanidineN-(3-Methyl-2-buten-1-yl)guanidineGuanidine, N-(3-methyl-2-buten-1-yl)-DTXSID10202659RefChem:37148
Show more names
3-Methyl-2-butenylguanidineN-(3-Methyl-2-butenyl)guanidine
DTXCID90125150Isopentenyl guanidine(3-Methylbut-2-enyl)guanidineN-(3-methylbut-2-en-1-yl)guanidineBRN 17546511-(3-Methylbut-2-en-1-yl)guanidineUNII-R469KQG1EFGALEGINE [MI]
Database identifiers
- CAS
543-83-9- PubChem CID
- 10983
- DTXSID
DTXSID10202659- ChEMBL
CHEMBL111469- ChEBI
CHEBI:5265- UNII
- R469KQG1EF
- Nikkaji
- J78.499K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 60 · 60-65°
- Boiling point
- 225.99 °C · 225.99°C (rough estimate)
- Density
- 0.9482 · 0.9482 (rough estimate)
- refractive index
- 1.469 · 1.4690 (estimate)
- pka
- 13.42 · 13.42±0.70(Predicted)
- FDA UNII
- 469 KQG1EF · R469KQG1EF
Chemistry & industry
Additional notes
DefinitionChEBI: Galegine is a member of guanidines.
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Compound notes
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