Chemical ID: 5758644

CNCC1COCCO1
Chemical ID:
5758644
Name [?]:
N-(1,4-dioxan-2-ylmethyl)methanamine
SMILES [?]:
CNCC1COCCO1
InChi [?]:
InChI=1/C6H13NO2/c1-7-4-6-5-8-2-3-9-6/h6-7H,2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,3,5,4,2,6,9/rA:9cCNCCCOCCO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H13NO2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:1
ZAP Information [?]
Total:3.61588
Area:287.793
Solvation:-3.57894
Coulombic:-24.6419
Bond Count [?]
All:9
Single:9
Double:0
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:131.173
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.73
LogP (Chemaxon):-0.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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