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13993-48-1 | 10H-Phenothiazine,10-[(1-methyl-2-pyrrolidinyl)methyl]-, hydrochloride (1:1)
CAS No: 13993-48-1 Catalog No: AG006WB7 MDL No:
Product Description
Catalog Number:
AG006WB7
Chemical Name:
10H-Phenothiazine,10-[(1-methyl-2-pyrrolidinyl)methyl]-, hydrochloride (1:1)
CAS Number:
13993-48-1
Molecular Formula:
C18H21ClN2S
Molecular Weight:
332.8907
IUPAC Name:
10-[(1-methylpyrrolidin-2-yl)methyl]phenothiazine;hydrochloride
InChI:
InChI=1S/C18H20N2S.ClH/c1-19-12-6-7-14(19)13-20-15-8-2-4-10-17(15)21-18-11-5-3-9-16(18)20;/h2-5,8-11,14H,6-7,12-13H2,1H3;1H
InChI Key:
JNZUGBHNVALRPF-UHFFFAOYSA-N
SMILES:
CN1CCCC1CN1c2ccccc2Sc2c1cccc2.Cl
NSC Number:
141253
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
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:
1
Isotope Atom Count:
0
Molecular Weight:
332.89g/mol
Monoisotopic Mass:
332.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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