6,6-Dimethyl-1-[3-[3-(4-nitrophenoxy)propoxy]phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride
Basic information
- CAS
19157-95-0- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1cccc(OCCCOc2ccc([N+](=O)[O-])cc2)c1.Cl- InChIKey
XTQIPPSGNKHAAW-UHFFFAOYSA-N- Molecular formula
- C20H25ClN6O4
- Average molar mass
- 448.9 g/mol
- Monoisotopic mass
- 448.162581
Names & identifiers
- Preferred name
- 6,6-Dimethyl-1-[3-[3-(4-nitrophenoxy)propoxy]phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride
- IUPAC
- 6,6-dimethyl-1-[3-[3-(4-nitrophenoxy)propoxy]phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride
Names & synonyms
NSC11322919157-95-06,6-dimethyl-1-[3-[3-(4-nitrophenoxy)propoxy]phenyl]-1,3,5-triazine-2,4-diamineDTXSID80332417NSC-113229DS-0156476,6-Dimethyl-1-{3-[3-(4-nitrophenoxy)propoxy]phenyl}-1,6-dihydro-1,3,5-triazine-2,4-diamine--hydrogen chloride (1/1)
Database identifiers
- CAS
19157-95-0- PubChem CID
- 456152
- DTXSID
DTXSID80332417
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 654
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Compound notes
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