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Benzodepa

CAT: 0931-T26773-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26773-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1980-45-6
Target
Others
Related Pathways
Others
Bioactivity
Benzodepa is an antineoplastic.
Smiles
P(NC(OCC1=CC=CC=C1)=O)(=O)(N2CC2)N3CC3
Molecular Formula
C12H16N3O3P
Molecular Weight
281.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzodepa

Benzodepa is a member of benzenes.

CAS Number1980-45-6
PubChem CID16111
IUPAC Namebenzyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
Molecular FormulaC12H16N3O3P
Molecular Weight281.25
XLogP0.8
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity374
SMILES
C1CN1P(=O)(NC(=O)OCC2=CC=CC=C2)N3CC3
InChI
InChI=1S/C12H16N3O3P/c16-12(18-10-11-4-2-1-3-5-11)13-19(17,14-6-7-14)15-8-9-15/h1-5H,6-10H2,(H,13,16,17)
InChIKey
VFIUCBTYGKMLCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzodepa
CAS: 1980-45-6
CID: 16111
Formula: C12H16N3O3P
MW: 281.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.25
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass281.09292838
Monoisotopic Mass281.09292838
Topological Polar Surface Area61.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19198116-01Benzodepa

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