4-(Aminomethyl)hepta-1,6-dien-4-ol
Basic information
- CAS
44866-40-2- Standard SMILES
C=CCC(O)(CN)CC=C- InChIKey
WZMOMSZBBJYAOE-UHFFFAOYSA-N- Molecular formula
- C8H15NO
- Average molar mass
- 141.21 g/mol
- Monoisotopic mass
- 141.1153641
Names & identifiers
- Preferred name
- 4-(Aminomethyl)hepta-1,6-dien-4-ol
- IUPAC
- 4-(aminomethyl)hepta-1,6-dien-4-ol
- English name
- 4-AMINOMETHYL-HEPTA-1,6-DIEN-4-OL
- Molecular formula
- C8H15NO
- Molecular weight
- 141.21
Names & synonyms
4-(aminomethyl)hepta-1,6-dien-4-ol44866-40-2DTXSID40389705RefChem:288464DTXCID703405664-Aminomethyl-hepta-1,6-dien-4-olHMS1704A12Oprea1_797102SCHEMBL1101394SCHEMBL28944641SBB010285AKOS000300108
Show more names
CHEMBRDG-BB 4004331TIMTEC-BB SBB010285ASINEX-REAG BAS 021024071,6-Heptadien-4-ol, 4-(aminomethyl)-4-(aminomethyl)hepta-1,6-dien-4-ol(SALTDATA: HCl)
SB84322ST50260616
Database identifiers
- CAS
44866-40-2- PubChem CID
- 3138069
- DTXSID
DTXSID40389705- Nikkaji
- J892.549F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 236.7 · 236.7±35.0 °C(Predicted)
- Density
- 0.928 · 0.928±0.06 g/cm3(Predicted)
- pka
- 12.58 · 12.58±0.50(Predicted)
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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