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Metepa
CAS: 57-39-6 | C9H18N3OP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57-39-6
Molecular Formula:
C9H18N3OP
Molecular Mass:
215.24 g/mol
Names and Synonyms:
Metepa
Aziridine, 1,1′,1′′-phosphinylidynetris[2-methyl-
Phosphine oxide, tris(2-methyl-1-aziridinyl)-
1,1′,1′′-Phosphinylidynetris[2-methylaziridine]
EMT 50003
MAPO
Metapoxide
Metepa
Methaphoxide
Methyl aphoxide
Tris(2-methyl-1-aziridinyl)phosphine oxide
Tris(methylaziridinyl)phosphine oxide
Tris(1,2-propylene)phosphoramide
Tris(2-methylaziridinyl)phosphine oxide
Trimethylaziridinylphosphine oxide
Metapa
MAPO (chemosterilant)
NSC 54054
Identifiers:
SMILES:
CC1CN1P(=O)(N1CC1C)N1CC1C
InChI:
InChI=1S/C9H18N3OP/c1-7-4-10(7)14(13,11-5-8(11)2)12-6-9(12)3/h7-9H,4-6H2,1-3H3
Key Properties
Boiling Point
91 °C
CAS Common Chemistry
Melting Point
<25 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.24 g/mol | CAS Common Chemistry |
| 215.237 g/mol | RDKit | |
| 215.11874882599997 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Metepa | CAS Common Chemistry |
| Boiling Point | 91 °C | CAS Common Chemistry |
| Canonical SMILES | O=P(N1CC1C)(N2CC2C)N3CC3C | CAS Common Chemistry |
| InChI | InChI=1S/C9H18N3OP/c1-7-4-10(7)14(13,11-5-8(11)2)12-6-9(12)3/h7-9H,4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AVUYXHYHTTVPRX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | Metepa | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.099999999999994 Ų | RDKit |
| LogP | 1.2067999999999999 | RDKit |
| Molar Refractivity | 56.11050000000004 | RDKit |
