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CAS 19782-68-4 TETRAKIS(DIMETHYLAMIDO)HAFNIUM(IV) molecular structure lightbox
CAS RN: 19782-68-4

TETRAKIS(DIMETHYLAMIDO)HAFNIUM(IV)

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  • Product code: starshine_CAS19782-68-4
  • Purity/Analytical Methods: >99.0%
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19782-68-4 / tetrakis(dimethylazanide);hafnium(4+)

Standard CAS: 19782-68-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19782-68-4
Multi CAS
No
Molecular Formula
C8H24HfN4
Molecular Weight
354.790000
Exact Mass
356.146660
SMILES
C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Hf+4]
InChI
InChI=1S/4C2H6N.Hf/c4*1-3-2;/h4*1-2H3;/q4*-1;+4
InChIKey
ZYLGGWPMIDHSEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
4
Molar refractivity
60.83
TPSA
56.4

LogP / Solubility

WLOGP
2.48
MLOGP
2.2
XLogP3
2.48
Consensus LogP
2.39
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H228 (98%): Flammable solid [Danger Flammable solids] H261 (98%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (18%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H228 (50%): Flammable solid [Danger Flammable solids]
Precautionary Statement Codes
P210, P231+P232, P240, P241, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P402+P404, P405, and P501 P210, P231+P232, P240, P241, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P402+P404, P405, and P501

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