CAS RN: 51284-91-4
FORMAMIDE-13C
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS51284-91-4
- Purity/Analytical Methods: >99.0%
51284-91-4 / formamide
Basic Information
CAS
51284-91-4
Multi CAS
Yes
Molecular Formula
CH3NO
Molecular Weight
45.041000
Exact Mass
45.021464
InChI
InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i1+1
InChIKey
ZHNUHDYFZUAESO-OUBTZVSYSA-N
Physical Properties
Melting Point
36.5 °F (NTP, 1992)
2.55 °C
2.5 °C
37 °F
Boiling Point
410 °F at 760 mmHg (decomposes) (NTP, 1992)
210.5 °C @ 760 mm Hg
BP: 200-212 °C with partial decomposition beginning approximately 180 °C
411 °F (decomposes)
411 °F (Decomposes)
Density
1.1334 at 68 °F (USCG, 1999) - Denser than water; will sink
1.1334 @ 20 °C/4 °C
Relative density (water = 1): 1.13
1.13
Physical Description
Formamide appears as a colorless liquid with a faint odor of ammonia. Denser than water. Freezing point 36 °F. (USCG, 1999)
Liquid
Colorless, oily liquid. [Note: A solid below 37 degrees F.]; [NIOSH]
COLOURLESS HYGROSCOPIC VISCOUS LIQUID.
Colorless, oily liquid with a light ammonia-like odor.
Appearance
Slightly viscous, colorless liquid
Oily liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
10.25
TPSA
43.09
LogP / Solubility
WLOGP
-0.9
MLOGP
-0.81
XLogP3
-0.8
Consensus LogP
-0.84
Log S (ESOL)
0.45
Class (ESOL)
Highly soluble
Log S (Ali)
0.72
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.79
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)
-3.63
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
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- Product Code: starshine_CAS51290-77-8
- Purity/Analytical method: >99.0%
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