But-3-en-1-yl N,N-bis(2-chloroethyl)phosphorodiamidate
Basic information
- CAS
39800-29-8- Standard SMILES
C=CCCOP(N)(=O)N(CCCl)CCCl- InChIKey
UBJAZFXJPCTQTQ-UHFFFAOYSA-N- Molecular formula
- C8H17Cl2N2O2P
- Average molar mass
- 275.11 g/mol
- Monoisotopic mass
- 274.0404702
Names & identifiers
- Preferred name
- But-3-en-1-yl N,N-bis(2-chloroethyl)phosphorodiamidate
- IUPAC
- N-[amino(but-3-enoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
- English name
- O-(3-Butenyl)-N,N-bis(2-chloroethyl)phosphorodiamidate
- Molecular formula
- C8H17Cl2N2O2P
- Molecular weight
- 275.11
Names & synonyms
39800-29-8but-3-en-1-yl n,n-bis(2-chloroethyl)phosphorodiamidateDTXSID30302822RefChem:330361DTXCID80253956O-(3-Butenyl)-N,N-bis(2-chloroethyl)phosphorodiamidateN-[amino(but-3-enoxy)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanaminePhosphorodiamidic acid, N,N-bis(2-chloroethyl)-, 3-buten-1-yl ester; Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-, 3-butenyl ester (9CI); 3-Butenyl N,N-bis(2-chloroethyl)phosphorodiamidate; NSC 154039; O-(3-Butenyl)-N,N-bis(2-chloroethyl)phosphorodiamidateNSC154039AKOS030240006AT46828NSC-154039
Show more names
NSC 15403NSC 1540393-Butenyl N,N-Bis(2-chloroethyl)phosphorodiamidateN,N-Bis(2-chloroethyl)-phosphorodiamidic Acid 3-Butenyl Ester
3-butenyl-N,N-bis(2-chloroethyl)phosphorodi-amidate
Database identifiers
- CAS
39800-29-8- PubChem CID
- 290494
- DTXSID
DTXSID30302822
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 356.2 · 356.2±52.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 1.22 · 1.22±0.70(Predicted)
- form
- Oil
- color
- Clear Colorless
Chemistry & industry
Applications
UsesAn antitumor agent
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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