Basic information
- Standard SMILES
NC(c1ccncc1)c1ccc(Cl)cc1- InChIKey
YCSMATSKHPALAR-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2
- Average molar mass
- 218.68 g/mol
- Monoisotopic mass
- 218.06107603
Names & identifiers
- Preferred name
- (4-Chlorophenyl)(pyridin-4-yl)methanamine
- IUPAC
- (4-chlorophenyl)-pyridin-4-ylmethanamine
- English name
- C-(4-CHLORO-PHENYL)-C-PYRIDIN-4-YL-METHYLAMINE DIHYDROCHLORIDE
- Molecular formula
- C12H11ClN2
- Molecular weight
- 218.68
Names & synonyms
883548-16-1(4-chlorophenyl)(pyridin-4-yl)methanamine(4-chlorophenyl)-pyridin-4-ylmethanamineC-(4-Chloro-phenyl)-C-pyridin-4-yl-methylamine1-(4-chlorophenyl)-1-pyridin-4-ylmethanamineC-(4-chlorophenyl)-C-pyridin-4-yl-methylamineSCHEMBL30513531-(4-CHLOROPHENYL)-1-(PYRIDIN-4-YL)METHANAMINECHEMBL2220564DTXSID10390121YCSMATSKHPALAR-UHFFFAOYSA-NAKOS000248982
Show more names
4-Pyridinemethanamine, α-(4-chlorophenyl)-1-(4-Chlorophenyl)-1-pyridin-4-ylmethanamine dihydrochlorideC-(4-CHLORO-PHENYL)-C-PYRIDIN-4-YL-METHYLAMINE DIHYDROCHLORIDE1-(4-chlorophenyl)-1-pyridin-4-ylmethanamine(SALTDATA: 2.15HCl)
AKOS016844200(4-chlorophenyl)-(4-pyridyl)methanamineDA-01618SR-01000325105SR-01000325105-1
Database identifiers
- CAS
883548-16-1- PubChem CID
- 3157463
- DTXSID
DTXSID10390121- ChEMBL
CHEMBL2220564
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C12H11ClN2.2ClH/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10;;/h1-8,12H,14H2;2*1H
- InChIKey
- MDRLUUPRAOMVPA-UHFFFAOYSA-N
- SMILES
- Cl.Cl.NC(c1ccncc1)c2ccc(Cl)cc2
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
Safety data
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Linked notes
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