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Molecule
(-)-Sec-Butylamine
CAS: 13250-12-9 · C4H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13250-12-9
- Molecular Formula
- C4H11N
- Molecular Mass
- 73.14 g/mol
Identifiers
CAS Registry Number
13250-12-9
SMILES
CC[C@@H](C)N
InChI Key
BHRZNVHARXXAHW-SCSAIBSYSA-N
InChI
InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m1/s1
Names and Synonyms
- (-)-Sec-Butylamine Synonym
- 2-Butanamine, (2R)- Synonym
- sec-Butylamine, (R)-(-)- Synonym
- 2-Butanamine, (R)- Synonym
- (-)-sec-Butylamine Synonym
- (-)-2-Butylamine Synonym
- (R)-(-)-2-Aminobutane Synonym
- (-)-2-Aminobutane Synonym
- (R)-sec-Butylamine Synonym
- (R)-(-)-sec-Butylamine Synonym
- (R)-2-Butanamine Synonym
- (R)-1-Methylpropylamine Synonym
- (R)-2-Butylamine Synonym
- (R)-(-)-2-Butylamine Synonym
- (R)-2-Aminobutane Synonym
- (R)-N-sec-Butylamine Synonym
- (1R)-1-Methylpropylamine Synonym
- (R)-sec-Butylamine Synonym
- (2R)-Butan-2-amine Synonym
- (R)-2-Butylamine Synonym
- (2R)-Butan-2-amine Synonym
- (R)-(-)-sec-Butylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 73.14 g/mol | CAS Common Chemistry |
| 73.13900000000001 g/mol | RDKit | |
| 73.139 g/mol | RDKit | |
| Canonical SMILES | NC(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BHRZNVHARXXAHW-SCSAIBSYSA-N | CAS Common Chemistry |
| Name | (-)-sec-Butylamine | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.7436 | RDKit |
| Molar Refractivity | 23.940399999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 73.08914935199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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.
External Resources
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MW = 73.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H11N.
