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Molecule
4-[Bis(1,1-Dimethylethyl)Phosphino]-N,N-Dimethylbenzenamine
CAS: 932710-63-9 · C16H28NP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 932710-63-9
- Molecular Formula
- C16H28NP
- Molecular Mass
- 265.38 g/mol
Identifiers
CAS Registry Number
932710-63-9
SMILES
CN(C)c1ccc(P(C(C)(C)C)C(C)(C)C)cc1
InChI Key
IQTHEAQKKVAXGV-UHFFFAOYSA-N
InChI
InChI=1S/C16H28NP/c1-15(2,3)18(16(4,5)6)14-11-9-13(10-12-14)17(7)8/h9-12H,1-8H3
Names and Synonyms
- 4-[Bis(1,1-Dimethylethyl)Phosphino]-N,N-Dimethylbenzenamine Synonym
- Benzenamine, 4-[bis(1,1-dimethylethyl)phosphino]-N,N-dimethyl- Synonym
- 4-[Bis(1,1-dimethylethyl)phosphino]-N,N-dimethylbenzenamine Synonym
- N,N-Dimethyl 4-(di(tert-butyl)phosphino)aniline Synonym
- [4-(Dimethylamino)phenyl]bis(tert-butyl)phosphine Synonym
- [(4-Dimethylaminophenyl)di(tert-butyl)phosphine Synonym
- Di(tert-butyl)(4-dimethylaminophenyl)phosphine Synonym
- Amphos Synonym
- (4-(N,N-Dimethylamino)phenyl)di-tert-butylphosphine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 265.38 g/mol | CAS Common Chemistry |
| 265.381 g/mol | RDKit | |
| Canonical SMILES | C=1C=C(C=CC1N(C)C)P(C(C)(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H28NP/c1-15(2,3)18(16(4,5)6)14-11-9-13(10-12-14)17(7)8/h9-12H,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IQTHEAQKKVAXGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-[Bis(1,1-dimethylethyl)phosphino]-N,N-dimethylbenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 4.456800000000004 | RDKit |
| 4.4568 | RDKit | |
| Molar Refractivity | 86.82900000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.625 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 265.19593652599997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 265.38 g/mol. Edit any field — others recompute live.
