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Chemical ID: 5035053
Chemical ID:
5035053
Name [?]:
pentyl tert-butylaminoformate
SMILES [?]:
CCCCCOC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C10H21NO2/c1-5-6-7-8-13-9(12)11-10(2,3)4/h5-8H2,1-4H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,11,12,13,2,3,4,5,7,10,9,8,6/E:(2,3,4)/rA:13nCCCCCOCONCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H21NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.90824 |
Area: | 398.324 |
Solvation: | -1.04985 |
Coulombic: | -34.9719 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 187.279 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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