Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25g, 100g, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
6294-89-9 / methyl N-aminocarbamate
Basic Information
CAS
6294-89-9
Multi CAS
Yes
Molecular Formula
C2H6N2O2
Molecular Weight
90.080000
Exact Mass
90.042927
InChI
InChI=1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)
InChIKey
WFJRIDQGVSJLLH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
19.73
TPSA
64.35
LogP / Solubility
WLOGP
-0.78
MLOGP
-0.7
XLogP3
-0.8
Consensus LogP
-0.76
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
0.27
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.41
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.83
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
