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: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-9,11-dioxa-10-phosphapentacyclo[10.6.1.1^1,^4.0^1^6,^1^9.0^8,^2^0]icosa-4(20),5,7,12,14,16(19)-hexaen-10-amine
• IUPAC Traditional name: N,N-dimethyl-9,11-dioxa-10-phosphapentacyclo[10.6.1.1^1,^4.0^1^6,^1^9.0^8,^2^0]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

Database IDs

• CAS Number: 443965-14-8
• MDL Number: MFCD08459340
• PubChem SID: 162236047
• PubChem CID: 11438749

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8209896
• LogD (pH = 7.4): 4.5640316
• Log P: 4.59
• Molar Refractivity: 104.0537 cm^3
• Polarizability: 35.97807 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92-96 °C
• Optical Rotation: [α]22/D +480°, c = 1 in chloroform; [α]22/D -487°, c = 1 in chloroform

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C19H20NO2P

DETAILS

Sigma Aldrich - 700797

Packaging
250 mg in glass bottle

Sigma Aldrich - 700789

Packaging
50, 250 mg in glass bottle