2-{[(Acetyloxy)acetyl]oxy}-N,N,N-trimethylethan-1-aminium iodide

CAS Number: 73231-71-7

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CC(OCC(OCC[N+](C)(C)C)=O)=O.[I-]

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: none

Formula

I.C9H18NO4

Molecular Weight

204.245

Drug-likeness

0.67231

CAS

73231-71-7

InChI key

CHJLFAMAVFKSCJ-UHFFFAOYSA-M

SMILES

CC(OCC(OCC[N+](C)(C)C)=O)=O.[I-]

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

none

Tumorigenic

none

Handling Watch

Irritant: none | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	73231-71-7
Molecule Name	2-{[(Acetyloxy)acetyl]oxy}-N,N,N-trimethylethan-1-aminium iodide
Molecular Formula	I.C9H18NO4
SMILES	CC(OCC(OCC[N+](C)(C)C)=O)=O.[I-]
InChI	InChI=1S/C9H18NO4.HI/c1-8(11)14-7-9(12)13-6-5-10(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
InChI Key	CHJLFAMAVFKSCJ-UHFFFAOYSA-M
CanonicalSyTyLFy	2bb3a81a343f366f
TotalMolweight	331.145
Molecular Weight	204.245
MonoisotopicMass	204.123584
CLogP	-3.5513
CLogS	0.352
H Acceptors	5
TotalSurfaceArea	165.2
Relative PSA	0.23281
PolarSurfaceArea	52.6
Drug-likeness	0.67231
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	quart. ammonium
Shape Index	0.71429
Molecula Flexibility	0.61245
Molecular Complexity	0.45134
Fragments	2
Non HAtoms	14
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Sp3Atoms	10
Symmetricatoms	2
Amines	1
AlkylAmines	1

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CAS Number	Mutagenic	Tumorigenic	Irritant	Molecule Formula	Mol Weight	Druglikeness	ChemrytIQ
10001-46-4	none	none	none	C9H11N3O3	209.204	1.9565	ChemrytIQ
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10002-30-9	none	none	none	C12H9NOS	215.275	0.083087	ChemrytIQ
10003-42-6	none	none	none	C11H11NO4	221.211	-4.7046	ChemrytIQ
1000018-13-2	none	none	none	C11H14NO2Br	272.141	-5.4951	ChemrytIQ
1000025-93-3	none	none	none	C20H17NO4	335.358	-1.6731	ChemrytIQ
1000339-28-5	none	none	none	C14H8N2OBrCl	335.588	-0.59356	ChemrytIQ
1000025-92-2	none	none	none	C20H16N2O2	316.359	-6.3825	ChemrytIQ
100003-81-4	high	high	none	C8H7N2OClS	214.676	1.4208	ChemrytIQ
100-77-6	none	none	none	C6H4N2Cl.Cl	139.565	-4.1248	ChemrytIQ
100016-58-8	none	high	none	C19H19NO5	341.362	1.8385	ChemrytIQ
100005-44-5	high	none	low	C7H5O2ClS	188.634	-11.771	ChemrytIQ
1000-28-8	none	none	none	C6H3OF11	300.067	-44.343	ChemrytIQ
100-45-8	none	none	high	C7H9N	107.155	-10.018	ChemrytIQ
100033-12-3	none	none	none	C11H10N3O2Br	296.123	-13.354	ChemrytIQ
1000339-51-4	none	none	none	C7H4NO4F	185.11	-8.2861	ChemrytIQ
1000296-71-8	none	none	high	C19H27NO8S3	493.62	-2.9952	ChemrytIQ
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1000058-38-7	none	none	none	C11H12N2O2	204.228	-4.6529	ChemrytIQ
10003-95-9	none	none	none	C10H18N2O17P4	562.146	-25.989	ChemrytIQ
1000-58-4	high	high	high	C4H8Cl4Si	226.006	-54.611	ChemrytIQ
10003-94-8	none	none	none	C9H16N2O18P4	564.118	-31.509	ChemrytIQ
1000339-22-9	none	none	none	C8H5NO4F2	217.127	-8.0943	ChemrytIQ
1000068-26-7	none	none	none	C13H15NO4BF	279.074	-46.077	ChemrytIQ
1000-44-8	high	high	low	C7H7Cl	126.586	-8.5908	ChemrytIQ
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100-28-7	high	low	low	C7H4N2O3	164.12	-21.552	ChemrytIQ
100-51-6	high	high	high	C7H8O	108.14	-2.2456	ChemrytIQ
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1000198-76-4	none	none	none	C11H12NF3	215.217	-5.8988	ChemrytIQ
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