4-benzylaminocyclohexanone - CAS 142009-99-2
Catalog: |
BB054093 |
Product Name: |
4-benzylaminocyclohexanone |
CAS: |
142009-99-2 |
Synonyms: |
4-benzylamino-cyclohexanone; 4-(N-benzylamino)cyclohexanone; Cyclohexanone, 4-[(phenylmethyl)amino]- |
IUPAC Name: | 4-(benzylamino)cyclohexan-1-one |
Molecular Weight: | 203.28 |
Molecular Formula: | C13H17NO |
Canonical SMILES: | C1CC(=O)CCC1NCC2=CC=CC=C2 |
InChI: | InChI=1S/C13H17NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2 |
InChI Key: | NMCDGVLRNAILQW-UHFFFAOYSA-N |
Boiling Point: | 337.539°C at 760 mmHg |
Purity: | 95% |
Density: | 1.06 g/cm3 |
GHS Hazard Statement: | 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] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.131014166 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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