Back to Search
1-Aminocyclopropane-1-Carboxylic Acid
CAS: 22059-21-8 | C4H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22059-21-8
Molecular Formula:
C4H7NO2
Molecular Mass:
101.10 g/mol
Names and Synonyms:
1-Aminocyclopropane-1-Carboxylic Acid
Cyclopropanecarboxylic acid, 1-amino-
1-Aminocyclopropanecarboxylic acid
1-Aminocyclopropane-1-carboxylate
α-Aminocyclopropanecarboxylic acid
1-Aminocyclopropane-1-carboxylic acid
ACC
1-Amino-1-carboxycyclopropane
ACPC
NSC 98430
Identifiers:
SMILES:
NC1(C(=O)O)CC1
InChI:
InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)
Key Properties
Melting Point
198-201 °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 | 101.10 g/mol | CAS Common Chemistry |
| 101.105 g/mol | RDKit | |
| 101.047678464 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Aminocyclopropane-1-carboxylic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C1(N)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=PAJPWUMXBYXFCZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 198-201 °C | CAS Common Chemistry |
| Name | 1-Aminocyclopropane-1-carboxylic acid | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | -0.4377000000000004 | RDKit |
| Molar Refractivity | 23.788199999999996 | RDKit |
