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CAS 1170256-90-2 2-(Methylsulfonylamino)benzylamine Hydrochloride molecular structure lightbox
CAS RN: 1170256-90-2

2-(Methylsulfonylamino)benzylamine Hydrochloride

  • Product code: SSC-016862
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1170256-90-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1170256-90-2 / N-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride

N-[2-(aminomethyl)phenyl]methanesulfonamide hydrochloride | N-(2-(Aminomethyl)phenyl)methanesulfonamide hydrochloride | RefChem:824806

Standard CAS: 1170256-90-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1170256-90-2
Multi CAS
No
Molecular Formula
C8H13ClN2O2S
Molecular Weight
236.720000
Exact Mass
236.038627
SMILES
CS(=O)(=O)NC1=CC=CC=C1CN.Cl
InChI
InChI=1S/C8H12N2O2S.ClH/c1-13(11,12)10-8-5-3-2-4-7(8)6-9;/h2-5,10H,6,9H2,1H3;1H
InChIKey
NMMHZLYJVBDRMT-UHFFFAOYSA-N
Synonyms
N-[2-(aminomethyl)phenyl]methanesulfonamide hydrochloride N-(2-(Aminomethyl)phenyl)methanesulfonamide hydrochloride RefChem:824806 853-110-3 2-(METHYLSULFONYLAMINO)BENZYLAMINE HYDROCHLORIDE

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.05
TPSA
72.19

LogP / Solubility

WLOGP
0.94
MLOGP
0.83
XLogP3
0.94
Consensus LogP
0.9
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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