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L-Serinamide Hydrochloride
CAS: 65414-74-6 | C3H9ClN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
65414-74-6
Molecular Formula:
C3H9ClN2O2
Molecular Weight:
140.57000000000002 g/mol
Names and Synonyms:
L-Serinamide Hydrochloride
Propanamide, 2-amino-3-hydroxy-, hydrochloride (1:1), (2S)-
Propanamide, 2-amino-3-hydroxy-, monohydrochloride, (S)-
L-Serinamide hydrochloride
Propanamide, 2-amino-3-hydroxy-, monohydrochloride, (2S)-
L-Serine amide hydrochloride
(S)-2-Amino-3-hydroxypropanamide hydrochloride
Identifiers:
SMILES:
Cl.N=C(O)[C@@H](N)CO
InChI:
InChI=1S/C3H8N2O2.ClH/c4-2(1-6)3(5)7;/h2,6H,1,4H2,(H2,5,7);1H/t2-;/m0./s1
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 |
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200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 140.57000000000002 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 140.035255208 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 8 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 3 count | RDKit |
Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 2 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 90.33 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | -0.7369300000000003 | RDKit |
molecular_mass | 140.57 g/mol | Legacy Database |
cas-canonical-smile | Cl.O=C(N)C(N)CO None | Legacy Database |
cas-inchi | InChI=1S/C3H8N2O2.ClH/c4-2(1-6)3(5)7;/h2,6H,1,4H2,(H2,5,7);1H/t2-;/m0./s1 None | Legacy Database |
cas-inchi-key | InChIKey=VURWDDZIWBGXCK-DKWTVANSSA-N None | Legacy Database |
cas-melting-point | 187-188 °C None | Legacy Database |
cas-name | L-Serinamide hydrochloride None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 32.664699999999996 | RDKit |