Chemical ID: 4260669

CCOC(=O)Cc1ccc(cc1)N
Chemical ID:
4260669
Name [?]:
ethyl 2-(4-aminophenyl)acetate
SMILES [?]:
CCOC(=O)Cc1ccc(cc1)N
InChi [?]:
InChI=1/C10H13NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,8,12,9,11,6,7,10,4,13,5,3/E:(3,4)(5,6)/rA:13nCCOCOCCCCCCCN/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.88149
Area:365.25
Solvation:-2.24977
Coulombic:-34.9682
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:179.216
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.38
LogP (Chemaxon):1.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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