[email protected]
CAS 13256-22-9 N-NITROSOSARCOSINE molecular structure lightbox
CAS RN: 13256-22-9

N-NITROSOSARCOSINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260518 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS13256-22-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

13256-22-9 / 2-[methyl(nitroso)amino]acetic acid

Standard CAS: 13256-22-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13256-22-9
Multi CAS
No
Molecular Formula
C3H6N2O3
Molecular Weight
118.090000
Exact Mass
118.037842
SMILES
CN(CC(=O)O)N=O
InChI
InChI=1S/C3H6N2O3/c1-5(4-8)2-3(6)7/h2H2,1H3,(H,6,7)
InChIKey
HJMPSKKJHVWPBK-UHFFFAOYSA-N

Physical Properties

Melting Point
66-67 °C
Physical Description
Pale yellow solid; [HSDB]
Appearance
Pale-yellow crystals
State
Solid
Storage Conditions
PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
26.06
TPSA
69.97

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.29
XLogP3
-0.2
Consensus LogP
-0.27
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
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)
-3.66

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 Warning
GHS Hazard Statements
H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 P203, P280, P318, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us