Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1467-79-4 / dimethylcyanamide
Basic Information
CAS
1467-79-4
Multi CAS
No
Molecular Formula
C3H6N2
Molecular Weight
70.090000
Exact Mass
70.053098
SMILES
CN(C)C#N
InChI
InChI=1S/C3H6N2/c1-5(2)3-4/h1-2H3
InChIKey
OAGOUCJGXNLJNL-UHFFFAOYSA-N
Physical Properties
Melting Point
-42 °F (NTP, 1992)
-41.0 °C
Boiling Point
326.3 °F at 760 mmHg (NTP, 1992)
163.5 °C @ 760 MM HG
Density
0.88 (NTP, 1992) - Less dense than water; will float
0.876
Physical Description
Dimethyl cyanamide is a clear liquid. (NTP, 1992)
Colorless liquid; [Hawley]
Appearance
COLORLESS, MOBILE LIQUID
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and protect it from moisture. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.67
H-bond acceptors
2
Molar refractivity
19.3
TPSA
27.03
LogP / Solubility
WLOGP
0.03
MLOGP
0.01
XLogP3
-0.2
Consensus LogP
-0.05
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.14
Class (SILICOS-IT)
Very 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)
-3.13
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
Safety & Transport
Pictogram(s)
Acute Toxic
Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H331 (97.6%): Toxic if inhaled [Danger Acute toxicity, inhalation]
H227: Combustible liquid [Warning Flammable liquids]
H301: Toxic if swallowed [Danger Acute toxicity, oral]
H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]
Precautionary Statement Codes
P261, P264, P270, P271, P301+P316, P304+P340, P316, P321, P330, P403+P233, P405, and P501
P210, P260, P264, P270, P280, P301+P316, P308+P316, P321, P330, P370+P378, P403, P405, and P501
