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CAS 13256-07-0 N-AMYL-N-METHYLNITROSAMINE molecular structure lightbox
CAS RN: 13256-07-0

N-AMYL-N-METHYLNITROSAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260316 10mg / 25mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS13256-07-0
  • Purity/Analytical Methods: >99.0%
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13256-07-0 / N-methyl-N-pentylnitrous amide

Standard CAS: 13256-07-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13256-07-0
Multi CAS
No
Molecular Formula
C6H14N2O
Molecular Weight
130.190000
Exact Mass
130.110613
SMILES
CCCCCN(C)N=O
InChI
InChI=1S/C6H14N2O/c1-3-4-5-6-8(2)7-9/h3-6H2,1-2H3
InChIKey
KSFCDINBDBFFSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
37.95
TPSA
32.67

LogP / Solubility

WLOGP
1.79
MLOGP
1.57
XLogP3
2
Consensus LogP
1.79
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.59
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)
-2.24

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)
Acute Toxic Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity] H350 (100%): May cause cancer [Danger Carcinogenicity]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501

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