2-Amino-1-phenylbutan-1-ol
Basic information
- CAS
5897-76-7- Standard SMILES
CCC(N)C(O)c1ccccc1- InChIKey
UOZNVPFVNBRISY-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- 2-Amino-1-phenylbutan-1-ol
- IUPAC
- 2-amino-1-phenylbutan-1-ol
- English name
- 2-Amino-1-phenyl-butanol
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
2-amino-1-phenylbutan-1-olDTXSID40871918RefChem:463282DTXCID20819530835-342-75897-76-7alpha-(alpha-Aminopropyl)benzyl alcohol2-AMINO-1-PHENYL-BUTANOL1-Butanol,2-amino-1-phenyl2-Amino-1-phenyl-1-butanolUSAF CS-71-Phenyl-1-hydroxy-2-amino-n-butane
Show more names
NSC417641-phenyl-2-aminobutan-1-ola-(a-Aminopropyl)benzyl Alcoholα-(1-Aminopropyl)benzenemethanolBenzenemethanol, α-(1-aminopropyl)-
1-Butanol, 2-amino-1-phenyl-beta-Amino-alpha-phenylbutyl alcoholalpha-(1-Aminopropyl)benzenemethanolNSC 41764UNII-S8TT5K3C8YBenzenemethanol, alpha-(1-aminopropyl)-Benzenemethanol, .alpha.-(1-aminopropyl)-Benzyl alcohol, .alpha.-(1-aminopropyl)-
Database identifiers
- CAS
5897-76-7- PubChem CID
- 22187
- DTXSID
DTXSID40871918- EC Number
- 835-342-7
- Nikkaji
- J65.963K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 79.5 ℃ · 79.5℃
- Boiling point
- 293.09 °C · 293.09°C (rough estimate)
- Density
- 1.0203 · 1.0203 (rough estimate)
- refractive index
- 1.482 · 1.4820 (estimate)
- pka
- 12.07 · 12.07±0.45(Predicted)
- FDA UNII
- 8 TT5K3C8Y · S8TT5K3C8Y
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
1 records
Compound notes
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