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CAS 684-93-5 1-Methyl-1-nitrosourea molecular structure lightbox
CAS RN: 684-93-5

1-Methyl-1-nitrosourea

  • Product code: SSC-178145
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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: 25g
  • Available purity: ＞97%
  • 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 684-93-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

684-93-5 / 1-methyl-1-nitrosourea

Standard CAS: 684-93-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
684-93-5
Multi CAS
Yes
Molecular Formula
C2H5N3O2
Molecular Weight
103.080000
Exact Mass
103.038176
InChI
InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)
InChIKey
ZRKWMRDKSOPRRS-UHFFFAOYSA-N

Physical Properties

Melting Point
255 °F (decomposes) (NTP, 1992) 123 °C
Density
less than 1.0 (NTP, 1992)
Physical Description
N-nitroso-n-methylurea appears as pale yellow crystals or light yellow moist powder. (NTP, 1992) Colorless or yellow solid; [HSDB]
Appearance
Colorless or yellow plates from ethanol
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
23.14
TPSA
75.76

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.29
Consensus LogP
-0.2
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.18
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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