Nitric acid--N~1~,N~4~-bis(3,3-diethoxypropyl)butane-1,4-diamine (2/1)

CAS Number: 41365-82-6

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CCOC(CCNCCCCNCCC(OCC)OCC)OCC.[O-][N+](O)=O.[O-][N+](O)=O

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: low

Formula

HNO3.HNO3.C18H40N2O4

Molecular Weight

348.526

Drug-likeness

-14.764

CAS

41365-82-6

InChI key

YQZBUFGLBLAANZ-UHFFFAOYSA-N

SMILES

CCOC(CCNCCCCNCCC(OCC)OCC)OCC.[O-][N+](O)=O.[O-][N+](O)=O

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

none

Tumorigenic

none

Handling Watch

Irritant: low | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	41365-82-6
Molecule Name	Nitric acid--N~1~,N~4~-bis(3,3-diethoxypropyl)butane-1,4-diamine (2/1)
Molecular Formula	HNO3.HNO3.C18H40N2O4
SMILES	CCOC(CCNCCCCNCCC(OCC)OCC)OCC.[O-][N+](O)=O.[O-][N+](O)=O
InChI	InChI=1S/C18H40N2O4.2HNO3/c1-5-21-17(22-6-2)11-15-19-13-9-10-14-20-16-12-18(23-7-3)24-8-4;22-1(3)4/h17-20H,5-16H2,1-4H3;2(H,2,3,4)
InChI Key	YQZBUFGLBLAANZ-UHFFFAOYSA-N
CanonicalSyTyLFy	840bb918f6746b7d
TotalMolweight	474.549
Molecular Weight	348.526
MonoisotopicMass	348.298808
CLogP	1.7294
CLogS	-1.96
H Acceptors	6
H Donors	2
TotalSurfaceArea	315.58
Relative PSA	0.19938
PolarSurfaceArea	60.98
Drug-likeness	-14.764
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Shape Index	0.75
Molecula Flexibility	0.66286
Molecular Complexity	0.46544
Fragments	3
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	19
Sp3Atoms	24
Symmetricatoms	15
Amines	2
AlkylAmines	2
BasicNitrogens	2

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CAS Number	Mutagenic	Tumorigenic	Irritant	Molecule Formula	Mol Weight	Druglikeness	ChemrytIQ
10000-20-1	none	low	high	C12H32N2Si2	260.572	-64.51	ChemrytIQ
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1000-90-4	none	none	none	Zn.C4H7OS2.C4H7OS2	135.231	-2.7683	ChemrytIQ
100009-92-5	none	none	none	C20H23NO4	341.406	4.6216	ChemrytIQ
100-53-8	none	high	high	C7H8S	124.207	-6.3177	ChemrytIQ
100021-46-3	none	none	none	C9H11NO2	165.191	-3.1955	ChemrytIQ
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1000018-07-4	none	none	none	C14H13N3O	239.277	1.9531	ChemrytIQ
100002-29-7	none	none	none	C12H18N2O3	238.286	2.8956	ChemrytIQ
10002-06-9	none	none	none	C10H8N3ClS	237.714	2.0874	ChemrytIQ
100017-22-9	high	high	high	C5H8O2	100.117	-8.1063	ChemrytIQ
10001-52-2	high	high	none	C11H10N6O3S	306.305	6.7202	ChemrytIQ
10001-30-6	none	none	none	C17H14O4	282.294	-0.8408	ChemrytIQ
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10-31-2001	none	none	none	C21H28NO6P	421.428	-10.542	ChemrytIQ
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1000-00-6	none	none	high	C10H26OSi2	218.487	-62.76	ChemrytIQ
100-70-9	none	none	none	C6H4N2	104.112	-6.0498	ChemrytIQ
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100-09-4	none	none	none	C8H8O3	152.149	-1.597	ChemrytIQ
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