CAS RN: 185827-91-2
Bis(dimethylamino-2-propoxy)copper(II), min. 98% Cu(dmap)2
Product Availability
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5 package records4 with current stock2 grade groups
- Product code: starshine_CAS185827-91-2
- Purity/Analytical Methods: >99.0%
185827-91-2 / copper bis(1-(dimethylamino)propan-2-ol)
Basic Information
CAS
185827-91-2
Multi CAS
No
Molecular Formula
C10H26CuN2O2+2
Molecular Weight
269.870000
Exact Mass
269.129025
SMILES
CC(CN(C)C)O.CC(CN(C)C)O.[Cu+2]
InChI
InChI=1S/2C5H13NO.Cu/c2*1-5(7)4-6(2)3;/h2*5,7H,4H2,1-3H3;/q;;+2
InChIKey
DMVVGZLAQBSSCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.47
TPSA
46.94
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.12
XLogP3
-0.14
Consensus LogP
-0.13
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-4.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Corrosive
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H314 (36.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H315 (63.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (63.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H330 (36.7%): Fatal if inhaled [Danger Acute toxicity, inhalation]
H335 (63.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P320, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501
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