2-(Methylsulfonyl)benzylamine - CAS 410545-65-2
Catalog: |
BB024770 |
Product Name: |
2-(Methylsulfonyl)benzylamine |
CAS: |
410545-65-2 |
Synonyms: |
(2-methylsulfonylphenyl)methanamine; (2-methylsulfonylphenyl)methanamine |
IUPAC Name: | (2-methylsulfonylphenyl)methanamine |
Description: | 2-(Methylsulfonyl)benzylamine (CAS# 410545-65-2) is a useful research chemical. |
Molecular Weight: | 185.24 |
Molecular Formula: | C8H11NO2S |
Canonical SMILES: | CS(=O)(=O)C1=CC=CC=C1CN |
InChI: | InChI=1S/C8H11NO2S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3 |
InChI Key: | NKOMETMTMXTMLP-UHFFFAOYSA-N |
Boiling Point: | 384.861 °C at 760 mmHg |
Density: | 1.225 g/cm3 |
LogP: | 2.32990 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.05104977 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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