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101976-33-4 | 10H-Phenothiazine-10-ethanamine, N-(2-chloroethyl)-N,α-dimethyl-, hydrochloride (1:1)
CAS No: 101976-33-4 Catalog No: AG00064A MDL No:
Product Description
Catalog Number:
AG00064A
Chemical Name:
10H-Phenothiazine-10-ethanamine, N-(2-chloroethyl)-N,α-dimethyl-, hydrochloride (1:1)
CAS Number:
101976-33-4
Molecular Formula:
C18H22Cl2N2S
Molecular Weight:
369.3517
IUPAC Name:
N-(2-chloroethyl)-N-methyl-1-phenothiazin-10-ylpropan-2-amine
InChI:
InChI=1S/C18H21ClN2S/c1-14(20(2)12-11-19)13-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-10,14H,11-13H2,1-2H3
InChI Key:
KPROVYBZAQQGTA-UHFFFAOYSA-N
SMILES:
ClCCN(C(CN1c2ccccc2Sc2c1cccc2)C)C.Cl
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.89g/mol
Monoisotopic Mass:
332.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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