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Chemical ID: 5055136
Chemical ID:
5055136
Name [?]:
2-hydroxy-N,N-bis(2-hydroxyethyl)propanamide
SMILES [?]:
CC(C(=O)N(CCO)CCO)O
InChi [?]:
InChI=1/C7H15NO4/c1-6(11)7(12)8(2-4-9)3-5-10/h6,9-11H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,9,7,10,2,3,5,8,11,12,4/E:(2,3)(4,5)(9,10)/rA:12cCCCONCCOCCOO/rB:s1;s2;d3;s3;s5;s6;s7;s5;s9;s10;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H15NO4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 2.84521 |
Area: | 343.431 |
Solvation: | -5.74056 |
Coulombic: | -64.6484 |
Bond Count [?]
All: | 11 |
Single: | 10 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 177.198 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | -2.08 |
LogP (Chemaxon): | -1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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