CAS RN: 17268-47-2
3-(dimethylamino)-N,N-dimethylpropionamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260623 | 1g / 5g / 10g | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS17268-47-2
- Purity/Analytical Methods: >99.0%
17268-47-2 / 3-(dimethylamino)-N,N-dimethylpropanamide
Basic Information
CAS
17268-47-2
Multi CAS
No
Molecular Formula
C7H16N2O
Molecular Weight
144.210000
Exact Mass
144.126263
SMILES
CN(C)CCC(=O)N(C)C
InChI
InChI=1S/C7H16N2O/c1-8(2)6-5-7(10)9(3)4/h5-6H2,1-4H3
InChIKey
ZCJKJJQMCWSWGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
41.87
TPSA
23.55
LogP / Solubility
WLOGP
0.03
MLOGP
0.02
XLogP3
-0.3
Consensus LogP
-0.08
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
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)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Flammable
Corrosive
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H225 (99.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]
H311 (97.2%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (99.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P370+P378, P403+P235, P405, and P501
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