(S)-2-(Benzylamino)-1-propanol - CAS 6940-80-3
Catalog: |
BB033812 |
Product Name: |
(S)-2-(Benzylamino)-1-propanol |
CAS: |
6940-80-3 |
Synonyms: |
(2S)-2-[(phenylmethyl)amino]-1-propanol; (2S)-2-(benzylamino)propan-1-ol |
IUPAC Name: | (2S)-2-(benzylamino)propan-1-ol |
Description: | (S)-2-(Benzylamino)-1-propanol (CAS# 6940-80-3) is a useful research chemical for the preparation of cross-benzoin products of heteroaromatic aldehydes and amino aldehydes. |
Molecular Weight: | 165.23 |
Molecular Formula: | C10H15NO |
Canonical SMILES: | CC(CO)NCC1=CC=CC=C1 |
InChI: | InChI=1S/C10H15NO/c1-9(8-12)11-7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-/m0/s1 |
InChI Key: | PJXWCRXOPLGFLX-VIFPVBQESA-N |
Boiling Point: | 292.2 °C at 760 mmHg |
Density: | 1.02 g/cm3 |
LogP: | 1.54790 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.115364102 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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