Nitracrine

CAT: 0926-EAA53339-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-EAA53339-02Size:5 mg

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CAS Number

4533-39-5

MDL Number

MFCD00866469

Smiles

CN (C) CCCNC1=C2C (=NC3=CC=CC=C31) C=CC=C2[N+] (=O) [O-]

Molecular Formula

C18H20N4O2

Molecular Weight

324.4 g/mol

Controlled

Chemical Information

Nitracrine

Nitracrine is a member of acridines.

CAS Number	4533-39-5
PubChem CID	20628
IUPAC Name	N',N'-dimethyl-N-(1-nitroacridin-9-yl)propane-1,3-diamine
Molecular Formula	C18H20N4O2
Molecular Weight	324.4
XLogP	3.7
Topological Polar Surface Area	74
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	426

SMILES

CN(C)CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O2/c1-21(2)12-6-11-19-18-13-7-3-4-8-14(13)20-15-9-5-10-16(17(15)18)22(23)24/h3-5,7-10H,6,11-12H2,1-2H3,(H,19,20)

InChIKey

YMVWGSQGCWCDGW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4533-39-5

CID: 20628

Formula: C18H20N4O2

MW: 324.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	324.4
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	324.15862589
Monoisotopic Mass	324.15862589
Topological Polar Surface Area	74 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	426
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T16327-01	Nitracrine
HY-U00279B	Nitracrine (hydrochloride)
T68936-01	Nitracrine dihydrochloride
T87011-01	Nitracrine dihydrochloride hydrate
HY-U00279A	Nitracrine (dihydrochloride hydrate)