AG01FQYV

1788085-47-1 | racemic-Di-tert-butyl(3-(tert-butyl)-4-(dimethylamino)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide

AG01FQYV

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CAS Number	1788085-47-1
Catalog Number	AG01FQYV(AGN-PC-3H5PB7)
Chemical Name	racemic-Di-tert-butyl(3-(tert-butyl)-4-(dimethylamino)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide
IUPAC Name	3-tert-butyl-2-ditert-butylphosphoryl-N,N-dimethyl-2H-1,3-benzoxaphosphol-4-amine
InChI	InChI=1S/C21H37NO2P2/c1-19(2,3)25-17-15(22(10)11)13-12-14-16(17)24-18(25)26(23,20(4,5)6)21(7,8)9/h12-14,18H,1-11H3
InChI Key	TUYVJJFLJWCOEY-UHFFFAOYSA-N
MDL Number	MFCD31707612
Molecular Formula	C21H37NO2P2
Molecular Weight	397.4715
SMILES	CN(C)C1=C2[P@@](C(C)(C)C)[C@H](P(C(C)(C)C)(C(C)(C)C)=O)OC2=CC=C1
Synonyms	1788085-47-1, racemic-Di-tert-butyl(3-(tert-butyl)-4-(dimethylamino)-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide@CRLF1788085-47-1,

Complexity	536
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	397.229953g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	397.5g/mol
Monoisotopic Mass	397.229953g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	29.5Ų
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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