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CAS 1066-77-9 TETRAKIS(DIMETHYLAMINO)TIN molecular structure lightbox
CAS RN: 1066-77-9

TETRAKIS(DIMETHYLAMINO)TIN

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  • Product code: starshine_CAS1066-77-9
  • Purity/Analytical Methods: >99.0%
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1066-77-9 / N-methyl-N-[tris(dimethylamino)stannyl]methanamine

stannic;dimethylazanide | C8H24N4Sn | SCHEMBL29654963

Standard CAS: 1066-77-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1066-77-9
Multi CAS
Yes
Molecular Formula
C8H24N4Sn
Molecular Weight
295.010000
Exact Mass
296.102299
SMILES
CN(C)[Sn](N(C)C)(N(C)C)N(C)C
InChI
InChI=1S/4C2H6N.Sn/c4*1-3-2;/h4*1-2H3;/q4*-1;+4
InChIKey
WHXTVQNIFGXMSB-UHFFFAOYSA-N
Synonyms
stannic;dimethylazanide C8H24N4Sn SCHEMBL29654963

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
60.5
TPSA
12.96

LogP / Solubility

WLOGP
-0.33
MLOGP
-0.28
XLogP3
-0.33
Consensus LogP
-0.31
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H225 (96.1%): Highly Flammable liquid and vapor [Danger Flammable liquids] H302+H312+H332 (21.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (98%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501

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