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443965-14-8 molecular structure
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N,N-dimethyl-9,11-dioxa-10-phosphapentacyclo[10.6.1.11,4.016,19.08,20]icosa-4(20),5,7,12,14,16(19)-hexaen-10-amine

ChemBase ID: 141813
Molecular Formular: C19H20NO2P
Molecular Mass: 325.341361
Monoisotopic Mass: 325.12316552
SMILES and InChIs

SMILES:
CN(C)P1Oc2cccc3c2C2(CC3)CCc3c2c(ccc3)O1
Canonical SMILES:
CN(P1Oc2cccc3c2C2(c4c(O1)cccc4CC2)CC3)C
InChI:
InChI=1S/C19H20NO2P/c1-20(2)23-21-15-7-3-5-13-9-11-19(17(13)15)12-10-14-6-4-8-16(22-23)18(14)19/h3-8H,9-12H2,1-2H3
InChIKey:
RIDZEECIONITMW-UHFFFAOYSA-N

Cite this record

CBID:141813 http://www.chembase.cn/molecule-141813.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl-9,11-dioxa-10-phosphapentacyclo[10.6.1.11,4.016,19.08,20]icosa-4(20),5,7,12,14,16(19)-hexaen-10-amine
IUPAC Traditional name
N,N-dimethyl-9,11-dioxa-10-phosphapentacyclo[10.6.1.11,4.016,19.08,20]icosa-4(20),5,7,12,14,16(19)-hexaen-10-amine
Synonyms
(11aR)-(+)-10,11,12,13-Tetrahydrodiindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-dimethylamine
N-Dimethyl-[(R)-1,1′-spirobiindane-7,7′-diyl]phosphoramidite
(R)-SIPHOS
(11aS)-(-)-10,11,12,13-Tetrahydrodiindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-dimethylamine
N-Dimethyl-[(S)-1,1′-spirobiindane-7,7′-diyl]phosphoramidite
(S)-SIPHOS
(11aR)-(+)-10,11,12,13-四氢二茚并[7,1-de:1′,7′-fg][1,3,2]二氧磷杂八环-5-二甲胺
N-二甲基-[(R)-1,1′-螺二氢茚-7,7′-二基]亚磷酰胺
(11aS)-(-)-10,11,12,13-四氢二茚并[7,1-de:1′,7′-fg][1,3,2]二氧磷杂八环-5-二甲胺
N-二甲基-[(S)-1,1′-螺二氢茚-7,7′-二基]亚磷酰胺
CAS Number
443965-14-8
MDL Number
MFCD08459340
PubChem SID
162236047
PubChem CID
11438749

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11438749 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8209896  LogD (pH = 7.4) 4.5640316 
Log P 4.59  Molar Refractivity 104.0537 cm3
Polarizability 35.97807 Å3 Polar Surface Area 21.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
92-96 °C expand Show data source
Optical Rotation
[α]22/D +480°, c = 1 in chloroform expand Show data source
[α]22/D -487°, c = 1 in chloroform expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C19H20NO2P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 700797 external link
Packaging
250 mg in glass bottle
Sigma Aldrich - 700789 external link
Packaging
50, 250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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