CAS RN: 143-06-6
(6-Aminohexyl)carbamic acid
Product Availability
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4 package records4 with current stock1 grade group
- Product code: LINA904465
143-06-6 / 6-aminohexylcarbamic acid
Basic Information
CAS
143-06-6
Multi CAS
No
Molecular Formula
C7H16N2O2
Molecular Weight
160.210000
Exact Mass
160.121178
SMILES
C(CCCNC(=O)O)CCN
InChI
InChI=1S/C7H16N2O2/c8-5-3-1-2-4-6-9-7(10)11/h9H,1-6,8H2,(H,10,11)
InChIKey
HDIHOAXFFROQHR-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder; Dry Powder, Pellets or Large Crystals
Fine powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
3
Molar refractivity
43.55
TPSA
75.35
LogP / Solubility
WLOGP
0.77
MLOGP
0.68
XLogP3
-2.2
Consensus LogP
-0.25
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Flammable
Irritant
Signal
Danger
GHS Hazard Statements
H228 (60%): Flammable solid [Danger Flammable solids]
H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P240, P241, P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P370+P378
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