Basic information
- CAS
78686-02-9- Standard SMILES
CCN(CCCl)Cc1ccccc1C- InChIKey
XHRCFGDFESIFRG-UHFFFAOYSA-N- Molecular formula
- C12H18ClN
- Average molar mass
- 211.73 g/mol
- Monoisotopic mass
- 211.1127773
Overview
irreversibly inhibits norepinephrine accumulation by rabbit aortic rings in vitro; UD & journal source given agree on structure of cpd; Negwer calls it the bis(2-chloroethyl) cpd
Names & identifiers
- Preferred name
- Xylamine
- IUPAC
- 2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine
- English name
- xylamine
- Molecular weight
- 0
Names & synonyms
Xylamine78686-02-9N-2-Chloroethyl-N-ethyl-2-methylbenzylamineBenzenemethanamine, N-(2-chloroethyl)-N-ethyl-2-methyl-DTXSID10229245923NT4H8G3RefChem:195407DTXCID301517362-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine2-Chloro-N-ethyl-N-(2-methylbenzyl)ethan-1-amineN-(2-Chloroethyl)-N-ethyl-2-methybenzenemethanaminestarbld0007116
Show more names
(2-Chloroethyl)(ethyl)[(2-methylphenyl)methyl]amineN-(2-Chloroethyl)-N-ethyl-2-methylbenzenemethanamineorb1694794CHEMBL1616379SCHEMBL13137718AKOS012693722T35196Benzylamine, N-(2-chloroethyl)-N-ethyl-o-methyl-
Database identifiers
- CAS
78686-02-9- PubChem CID
- 5706
- DTXSID
DTXSID10229245- ChEMBL
CHEMBL1616379- UNII
- 923NT4H8G3
- Nikkaji
- J21.278D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- FDA UNII
- 923 NT4H8G3 · 923NT4H8G3
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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