Basic information
- CAS
98014-58-5- Standard SMILES
CC(CCO)NCc1ccccc1- InChIKey
DYGQWKBWKAFSBR-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Names & identifiers
- Preferred name
- 3-(Benzylamino)butan-1-ol
- IUPAC
- 3-(benzylamino)butan-1-ol
Names & synonyms
3-(benzylamino)butan-1-ol98014-58-5RefChem:494257859-692-53-benzylamino-butan-1-olSCHEMBL536907CHEMBL4575388DYGQWKBWKAFSBR-UHFFFAOYSA-NYDA01458AKOS017508047DA-24999CS-0225830
Show more names
EN300-125050G60102Z1241678662
Database identifiers
- CAS
98014-58-5- PubChem CID
- 10464904
- ChEMBL
CHEMBL4575388- EC Number
- 859-692-5
- Nikkaji
- J605.034D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 121
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
2 records
Compound notes
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