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Chemical ID: 6941504

Chemical ID:

6941504

Name [?]:

N-diisopropylphosphoryl-5-methyl-pyridin-2-amine

SMILES [?]:

Cc1ccc(nc1)NP(=O)(C(C)C)C(C)C

InChi [?]:

InChI=1/C12H21N2OP/c1-9(2)16(15,10(3)4)14-12-7-6-11(5)8-13-12/h6-10H,1-5H3,(H,13,14,15)

InChi Info:

AuxInfo=1/1/N:12,13,15,16,1,3,4,7,11,14,2,5,6,8,10,9/E:(1,2,3,4)(9,10)/rA:16nCCCCCNCNPOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s11;s9;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₂₁N₂OP
All Atoms:	37
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	7.25069
Area:	420.872
Solvation:	-3.27111
Coulombic:	-22.2122

Bond Count [?]

All:	16
Single:	12
Double:	4
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	240.282
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.92
LogP (Chemaxon):	2.25

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value