CAS RN: 1173019-25-4
ETHANOL-13C2-AMINE HYDROCHLORIDE
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.20250402 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1173019-25-4
- Purity/Analytical Methods: >99.0%
1173019-25-4 / 2-amino(1,2-13C2)ethanol;hydrochloride
DTXSID00746133 | 2-Amino(~13~C_2_)ethan-1-ol--hydrogen chloride (1/1) | RefChem:255164
Basic Information
CAS
1173019-25-4
Multi CAS
Yes
Molecular Formula
C2H8ClNO
Molecular Weight
99.530000
Exact Mass
99.036151
SMILES
[13CH2]([13CH2]O)N.Cl
InChI
InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H/i1+1,2+1;
InChIKey
PMUNIMVZCACZBB-AWQJXPNKSA-N
Synonyms
DTXSID00746133
2-Amino(~13~C_2_)ethan-1-ol--hydrogen chloride (1/1)
RefChem:255164
DTXCID10696877
Ethanolamine-13C2 hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
23.39
TPSA
46.25
LogP / Solubility
WLOGP
-0.64
MLOGP
-0.58
XLogP3
-0.64
Consensus LogP
-0.62
Log S (ESOL)
0.02
Class (ESOL)
Highly soluble
Log S (Ali)
0.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.12
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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