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Bicine
CAS: 150-25-4 | C6H13NO4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
150-25-4
Molecular Formula:
C6H13NO4
Molecular Mass:
163.17 g/mol
Names and Synonyms:
Bicine
Glycine, N,N-bis(2-hydroxyethyl)-
N,N-Bis(2-hydroxyethyl)glycine
DHEG
Diethanol glycine
Diethylolglycine
N,N-Di(2-hydroxyethyl)glycine
Fe-3-Specific
Bicine
Dihydroxyethylglycine
N,N-Bis(β-hydroxyethyl)glycine
N,N-Dihydroxyethylglycine
N,N-Bis(hydroxyethyl)glycine
Bis(2-Hydroxyethyl)glycine
N,N-Bis(2-hydroxyethyl)aminoacetic acid
(Bis(2-hydroxyethyl)amino)acetic acid
NSC 7342
NSC 7512
Chelest GA
Bicin
2-[Bis(2-hydroxyethyl)azaniumyl]acetate
2-[Bis(2-hydroxyethyl)amino]acetic acid
Identifiers:
SMILES:
O=C(O)CN(CCO)CCO
InChI:
InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
Key Properties
Melting Point
194 °C (decomp)
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 | 163.17 g/mol | CAS Common Chemistry |
| 163.17299999999997 g/mol | RDKit | |
| 163.084457896 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bicine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CN(CCO)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=FSVCELGFZIQNCK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 194 °C (decomp) | CAS Common Chemistry |
| Name | Bicine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 81.0 Ų | RDKit |
| LogP | -1.6423999999999994 | RDKit |
| Molar Refractivity | 38.247400000000006 | RDKit |
