Phosphamide Mustard Cyclohexamine Salt

CAT: 1596-AR-C03812-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-C03812-01Size:10 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1566-15-0

Synonyms

Amino-[bis (2-chloroethyl) amino]phosphinic acid cyclohexanamine; Phosphamide Mustard; NSC 69945

Molecular Formula

C6H13N. C4H11Cl2N2O2P

Molecular Weight

99.18 221.02

API Name

Cyclophosphamide

Chemical Information

Cyclohexanamine N,N-bis(2-chloroethyl)phosphorodiamidate

CAS Number	1566-15-0
PubChem CID	96355
IUPAC Name	amino-[bis(2-chloroethyl)amino]phosphinic acid;cyclohexanamine
Molecular Formula	C10H24Cl2N3O2P
Molecular Weight	320.19
Topological Polar Surface Area	92.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	197

SMILES

C1CCC(CC1)N.C(CCl)N(CCCl)P(=O)(N)O

InChI

InChI=1S/C6H13N.C4H11Cl2N2O2P/c7-6-4-2-1-3-5-6;5-1-3-8(4-2-6)11(7,9)10/h6H,1-5,7H2;1-4H2,(H3,7,9,10)

InChIKey

BGTIPRUDEMNRIP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1566-15-0

CID: 96355

Formula: C10H24Cl2N3O2P

MW: 320.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.19
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	319.0983194
Monoisotopic Mass	319.0983194
Topological Polar Surface Area	92.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	197
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	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-C03826-01	Phosphamide Mustard-d8 Cyclohexamine Salt
AR-C02390-01	Phenylacetic Acid Mustard
AR-C02391-01	Phenylacetic acid mustard-d8
AR-F10879-01	Fosaprepitant Impurity 43 Cyclohexylamine Salt
AR-S10613-01	Sofosbuvir Impurity 43 Cyclohexylamine Salt
AR-G01966-01	Gadobutrol Trisodium Salt (Calcobutrol Trisodium Salt)
AR-R10048-01	Ramipril Salt
AR-A01548-01	Phenylpyruvate Calcium Salt (2-Keto-Phenylalanine Calcium Salt)
AR-A05635-01	Adenosine Impurity 13 Disodium Salt (Ap2A 2Na Salt)
AR-G01127-01	Ganglioside M1 Sodium Salt (GM1-Ganglioside Sodium Salt)

Catalog	Name
FC20694-01	Cyclohexamine hydrochloride
268820-01	Cyclohexamine Hydrochloride discontinued
592201	Uracil mustard
EAA21345-01	Quinacrine mustard
T23753-01	Arctigenin mustard
51-187	Mustard Allergen
MBS5772125	Aniline mustard
sc-506141	Cyclophosphamide mustard
T69179-01	Imidazole mustard
T38410	Phosphoramide mustard