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Chemical ID: 6683892
Chemical ID:
6683892
Name [?]:
2-dipropylaminopropanoic acid
SMILES [?]:
CCCN(CCC)C(C)C(=O)O
InChi [?]:
InChI=1/C9H19NO2/c1-4-6-10(7-5-2)8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,7,9,2,6,3,5,8,10,4,11,12/E:(1,2)(4,5)(6,7)(11,12)/rA:12cCCCNCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s4;s8;s8;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H19NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.20365 |
Area: | 366.161 |
Solvation: | -1.95037 |
Coulombic: | -32.8388 |
Bond Count [?]
All: | 11 |
Single: | 10 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 173.253 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.53 |
LogP (Chemaxon): | -0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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