Basic information
- CAS
46228-36-8- Standard SMILES
NC(N)=NCc1ccc(Cl)c(Cl)c1- InChIKey
AURBDHIQLUVPNM-UHFFFAOYSA-N- Molecular formula
- C8H9Cl2N3
- Average molar mass
- 218.08 g/mol
- Monoisotopic mass
- 217.0173527
Names & identifiers
- Preferred name
- Guanidine, (3,4-dichlorobenzyl)-
- IUPAC
- 2-[(3,4-dichlorophenyl)methyl]guanidine
- English name
- (3,4-Dichlorobenzyl)-guanidine
- Molecular formula
- C8H9Cl2N3
- Molecular weight
- 218.08
Names & synonyms
46228-36-8GUANIDINE, (3,4-DICHLOROBENZYL)-(3,4-Dichlorobenzyl)guanidineBRN 2373976Guanidine, ((3,4-dichlorophenyl)methyl)-DTXSID40196774RefChem:346751DTXCID80119265(3,4-DICHLOROBENZYL)-GUANIDINE1-(3,4-Dichlorobenzyl)guanidine2-[(3,4-dichlorophenyl)methyl]guanidineCHEMBL450122
Show more names
(3,4-dichlorobenzyl)-guanidinGuanidine, N-[(3,4-dichlorophenyl)methyl]-
SCHEMBL4019644SCHEMBL4019646(3,4-dichloroA-benzA-yl)-guanidineMFCD01724192SBB079160AKOS022183442SY340568N''-[(3,4-Dichlorophenyl)methyl]guanidine
Database identifiers
- CAS
46228-36-8- PubChem CID
- 39441
- DTXSID
DTXSID40196774- ChEMBL
CHEMBL450122
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 334.1 · 334.1±52.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 11.91 · 11.91±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…