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(3a,7aR)-1,3-Dimethyl-N-[(1S)-1-phenylethyl]octahydro-1H-1,3,2-benzodiazaphosphol-2-amine2-oxide

(3a,7aR)-1,3-Dimethyl-N-[(1S)-1-phenylethyl]octahydro-1H-1,3,2-benzodiazaphosphol-2-amine2-oxide structure

CAS No:
204990-17-0
Formula:
C16H26N3OP
Chemical Name:
(3a,7aR)-1,3-Dimethyl-N-[(1S)-1-phenylethyl]octahydro-1H-1,3,2-benzodiazaphosphol-2-amine2-oxide
Synonyms:
(3a,7aR)-1,3-Dimethyl-N-[(1S)-1-phenylethyl]octahydro-1H-1,3,2-benzodiazaphosphol-2-amine 2-oxide;CTK8E6813;DTXSID50443862;AKOS025294860;ZINC100199810;J-013361;(3a,7aR)-1,3-Dimethyl-N-[(1S)-1-phenylethyl]octahydro-1H-1,3,2-benzodiazaphosphol-2-amine 2-oxide, >=98.0% (HPLC);(3Ar,7ar)-1,3-dimethyl-N-[(1S)-1-phenylethyl]octahydro-1H-1,3,2-benzodiazaphosphol-2-amine 2-oxide;1,3-Dimethyl-2-[[(1S)-1-phenylethyl]amino]-1,3,3abeta,4,5,6,7,7aalpha-octahydro-2H,2H,2H-1,3,2-benzodiazaphosphole-2-one

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(3a,7aR)-1,3-Dimethyl-N-[(1S)-1-phenylethyl]octahydro-1H-1,3,2-benzodiazaphosphol-2-amine2-oxide Basic Attributes

Molecular Weight：

307.37

Exact Mass：

307.181349

DSSTox ID：

DTXSID50443862

Characteristics

PSA：

35.6

XLogP3：

3.90040

Melting Point：

135-140 °C

Computed Properties

Molecular Weight:307.37
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:307.18134946
Monoisotopic Mass:307.18134946
Topological Polar Surface Area:35.6
Heavy Atom Count:21
Complexity:388
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3a,7aR)-1,3-Dimethyl-N-[(1S)-1-phenylethyl]octahydro-1H-1,3,2-benzodiazaphosphol-2-amine2-oxide

Basic Attributes
Characteristics
Computed Properties

(3a,7aR)-1,3-Dimethyl-N-[(1S)-1-phenylethyl]octahydro-1H-1,3,2-benzodiazaphosphol-2-amine2-oxide

SDS

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