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CAS 1637453-85-0 (1R)-5-METHOXYINDANYLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1637453-85-0

(1R)-5-METHOXYINDANYLAMINE HYDROCHLORIDE

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250901 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250205 100mg In stock Shanghai Inquiry
Batchno.20251127 1g In stock Shanghai Inquiry
Batchno.20260411 250mg In stock Shanghai Inquiry
Batchno.20250813 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1637453-85-0
  • Purity/Analytical Methods: >99.0%
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1637453-85-0 / (1R)-5-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride

Standard CAS: 1637453-85-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1637453-85-0
Multi CAS
No
Molecular Formula
C10H14ClNO
Molecular Weight
199.680000
Exact Mass
199.076392
SMILES
COC1=CC2=C(C=C1)[C@@H](CC2)N.Cl
InChI
InChI=1S/C10H13NO.ClH/c1-12-8-3-4-9-7(6-8)2-5-10(9)11;/h3-4,6,10H,2,5,11H2,1H3;1H/t10-;/m1./s1
InChIKey
QFBRNSMZZDVAKR-HNCPQSOCSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.49
TPSA
35.25

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
2.06
Consensus LogP
1.98
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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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