[email protected]
CAS 108061-77-4 2-(6-bromo-1H-indol-3-yl)ethanamine hydrochloride molecular structure lightbox
CAS RN: 108061-77-4

2-(6-bromo-1H-indol-3-yl)ethanamine hydrochloride

  • Product code: SSC-009340
GET A QUOTE
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
Request Bulk Quote

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 108061-77-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

108061-77-4 / 2-(6-bromo-1H-indol-3-yl)ethanamine;hydrochloride

2-(6-bromo-1H-indol-3-yl)ethan-1-amine hydrochloride | RefChem:459123 | 899-846-9

Standard CAS: 108061-77-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108061-77-4
Multi CAS
Yes
Molecular Formula
C10H12BrClN2
Molecular Weight
275.570000
Exact Mass
273.987240
SMILES
C1=CC2=C(C=C1Br)NC=C2CCN.Cl
InChI
InChI=1S/C10H11BrN2.ClH/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8;/h1-2,5-6,13H,3-4,12H2;1H
InChIKey
KFXZBTZAVZBFET-UHFFFAOYSA-N
Synonyms
2-(6-bromo-1H-indol-3-yl)ethan-1-amine hydrochloride RefChem:459123 899-846-9 2-(6-BROMO-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE MFCD11109987

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
66.01
TPSA
41.81

LogP / Solubility

WLOGP
2.85
MLOGP
2.52
XLogP3
2.85
Consensus LogP
2.74
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
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

Customers Also Viewed

Get In Touch

Contact Us