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Phosphorodiamidic acid, N,N'-dibutyl-N,N'-dimethyl-, phenyl ester

HCID 85513
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
16613-92-6
Standard SMILES
CCCCN(C)P(=O)(Oc1ccccc1)N(C)CCCC
InChIKey
HMMSDCDWINKIDT-UHFFFAOYSA-N
Molecular formula
C16H29N2O2P
Average molar mass
312.39 g/mol
Monoisotopic mass
312.19666517

Names & identifiers

Preferred name
Phosphorodiamidic acid, N,N'-dibutyl-N,N'-dimethyl-, phenyl ester
IUPAC
N-[[butyl(methyl)amino]-phenoxyphosphoryl]-N-methylbutan-1-amine
English name
N,N'-Dibutyl-N,N'-dimethyldiamidophosphoric acid phenyl ester
Molecular formula
C16H29N2O2P
Molecular weight
312.39

Names & synonyms

16613-92-6Phosphorodiamidic acid, N,N'-dibutyl-N,N'-dimethyl-, phenyl esterDTXSID5066089RefChem:862804DTXCID4035334phenyl n,n'-dibutyl-n,n'-dimethylphosphorodiamidateHMMSDCDWINKIDT-UHFFFAOYSA-NN-[[butyl(methyl)amino]-phenoxyphosphoryl]-N-methylbutan-1-amineSCHEMBL11762026N,N/'-Dibutyl-N,N/'-dimethyldiamidophosphoric acid phenyl esterN,N'-Dibutyl-N,N'-dimethyldiamidophosphoric acid phenyl ester

Database identifiers

CAS
16613-92-6
PubChem CID
85513
DTXSID
DTXSID5066089
Nikkaji
J421.975I

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
21
Formal charge
0
Complexity
301

Physicochemical properties

EPA Substance Registry System
Phosphorodiamidic acid, N,N'-dibutyl-N,N'-dimethyl-, phenyl ester (16613-92-6)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhosphorodiamidic acid, N,N'-dibutyl-N,N'-dimethyl-, phenyl ester: INACTIVE

Suppliers1 total

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes