N-Benzyl-L-alaninol
Basic information
- CAS
6940-80-3- Standard SMILES
C[C@@H](CO)NCc1ccccc1- InChIKey
PJXWCRXOPLGFLX-VIFPVBQESA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- N-Benzyl-L-alaninol
- IUPAC
- (2S)-2-(benzylamino)propan-1-ol
- English name
- N-BENZYL-L-ALANINOL
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
N-BENZYL-L-ALANINOLRefChem:829196695-054-0(S)-2-(Benzylamino)propan-1-ol6940-80-3(2S)-2-(benzylamino)propan-1-olMFCD03840382(2S)-2-[(phenylmethyl)amino]-1-propanol(2S)-2-benzylamino-1-propanolCS-M1051AKOS006275865DS-5748
Show more names
N-Bn-Ala-OLamino)propan-1-oL(S)-N-benzylalaninol
(S)-2-[(Phenylmethyl)amino]-1-propanol(2s)-2-[benzylamino]propan-1-ol(S)-2-(Benzylamino)-1-propanol1-Propanol, 2-[(phenylmethyl)amino]-, (2S)-NSC60401(S)-2-(BenzylA904051SCHEMBL1189292
Database identifiers
- CAS
6940-80-3- PubChem CID
- 5356540
- DTXSID
DTXSID70418133- EC Number
- 695-054-0
- Nikkaji
- J1.045.765C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 47 · 47-49 °C(Solv: cyclohexane (110-82-7); ligroine (8032-32-4))
- Boiling point
- 120 · 120-122 °C(Press: 6 Torr)
- Density
- 1.02 · 1.020±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- Chloroform; Methanol;
- form
- Solid
- pka
- 14.59 · 14.59±0.10(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2922190090 · 2922190090
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
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- hs_code
- 2922190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses(S)-2-(Benzylamino)propan-1-ol is a useful research chemical for the preparation of cross-benzoin products of heteroaromatic aldehydes and amino aldehydes.
Upstream & downstream products
Upstream raw materials
Related reactions
5 records
Compound notes
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