6-(Chloromethyl)-N~2~-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
Basic information
- CAS
30355-61-4- Standard SMILES
Nc1nc(CCl)nc(Nc2ccc(Cl)cc2)n1- InChIKey
DTWDHFHKAFSOMF-UHFFFAOYSA-N- Molecular formula
- C10H9Cl2N5
- Average molar mass
- 270.12 g/mol
- Monoisotopic mass
- 269.0235007
Names & identifiers
- Preferred name
- 6-(Chloromethyl)-N~2~-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-(chloromethyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
- English name
- 6-(Chloromethyl)-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
- Molecular formula
- C10H9Cl2N5
- Molecular weight
- 270.12
Names & synonyms
30355-61-4DTXSID302751286-(Chloromethyl)-N~2~-(4-chlorophenyl)-1,3,5-triazine-2,4-diamineRefChem:306759DTXCID902265756-(chloromethyl)-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine6-(Chloromethyl)-N2-(4-chlorophenyl)-1,3,5-triazine-2,4-diamineMFCD039413086-(chloromethyl)-2-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine6-(chloromethyl)-4-[(4-chlorophenyl)imino]-1,4-dihydro-1,3,5-triazin-2-amine[4-amino-6-(chloromethyl)(1,3,5-triazin-2-yl)](4-chlorophenyl)amineSCHEMBL12135831
Show more names
1,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N2-(4-chlorophenyl)-
KUC105502NALBB-033123KSC-16-45SBB041752STK137378AKOS000270249EBC-612309LS-12473
Database identifiers
- CAS
30355-61-4- PubChem CID
- 34943
- DTXSID
DTXSID30275128- Nikkaji
- J1.612.620I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 180 °C · 180 °C (decomp)(Solv: water (7732-18-5); methanol (67-56-1))
- Boiling point
- 501.4 · 501.4±60.0 °C(Predicted)
- Density
- 1.525 · 1.525±0.06 g/cm3(Predicted)
- pka
- 3.56 · 3.56±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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