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CAS 16339-07-4 1-Methyl-4-nitrosopiperazine molecular structure lightbox
CAS RN: 16339-07-4

1-Methyl-4-nitrosopiperazine

  • Product code: SSC-070982
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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: 0.25g, 1g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 16339-07-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

16339-07-4 / 1-methyl-4-nitrosopiperazine

Standard CAS: 16339-07-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16339-07-4
Multi CAS
No
Molecular Formula
C5H11N3O
Molecular Weight
129.160000
Exact Mass
129.090212
SMILES
CN1CCN(CC1)N=O
InChI
InChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3
InChIKey
CEAIOKFZXJMDAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
34.86
TPSA
35.91

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.08
XLogP3
0.2
Consensus LogP
0.01
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
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)
-3.57

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)
Corrosive Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H350 (80%): May cause cancer [Danger Carcinogenicity]
Precautionary Statement Codes
P203, P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P333+P317, P362+P364, P363, P405, and P501

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