Basic information
- Standard SMILES
CC(CN)OCc1ccccc1- InChIKey
PGUFECZTCNQNTE-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- 2-(Benzyloxy)propan-1-amine
- IUPAC
- 2-phenylmethoxypropan-1-amine
Names & synonyms
2-(Benzyloxy)propan-1-amine6449-46-3DTXSID60304435RefChem:253263DTXCID90255567966-675-72-benzyloxypropylamine2-phenylmethoxypropan-1-amineNSC165784SCHEMBL4270699SCHEMBL7864015PGUFECZTCNQNTE-UHFFFAOYSA-N
Show more names
AKOS010958175NSC-165784DB-103752G58105EN300-7096790
Database identifiers
- CAS
6449-46-3- PubChem CID
- 296015
- DTXSID
DTXSID60304435- EC Number
- 966-675-7
- Nikkaji
- J637.538C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 110
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Related reactions
4 records
Linked notes
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