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CAS 1149622-70-7 5-(aminomethyl)-2,3-dihydro-1H-indol-2-one hydrochloride molecular structure lightbox
CAS RN: 1149622-70-7

5-(aminomethyl)-2,3-dihydro-1H-indol-2-one hydrochloride

  • Product code: SSC-014651
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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: 0.25g
  • 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 1149622-70-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1149622-70-7 / 5-(aminomethyl)-1,3-dihydroindol-2-one;hydrochloride

5-(aminomethyl)-2,3-dihydro-1H-indol-2-one hydrochloride | RefChem:530640 | 819-520-1

Standard CAS: 1149622-70-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1149622-70-7
Multi CAS
No
Molecular Formula
C9H11ClN2O
Molecular Weight
198.650000
Exact Mass
198.055991
SMILES
C1C2=C(C=CC(=C2)CN)NC1=O.Cl
InChI
InChI=1S/C9H10N2O.ClH/c10-5-6-1-2-8-7(3-6)4-9(12)11-8;/h1-3H,4-5,10H2,(H,11,12);1H
InChIKey
BUEZDNLMSHAYJP-UHFFFAOYSA-N
Synonyms
5-(aminomethyl)-2,3-dihydro-1H-indol-2-one hydrochloride RefChem:530640 819-520-1 5-(aminomethyl)-1,3-dihydroindol-2-one;hydrochloride 5-(Aminomethyl)indolin-2-one Hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.92
TPSA
55.12

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.06
Consensus LogP
1.02
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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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