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CAS 116650-33-0 (R)-3-Amino-1,2,3,4-tetrahydrocarbazole molecular structure lightbox
CAS RN: 116650-33-0

(R)-3-Amino-1,2,3,4-tetrahydrocarbazole

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260121 100g Out of stock Inquiry
Batchno.20250704 1g In stock Shanghai Inquiry
Batchno.20250307 250mg In stock Shanghai Inquiry
Batchno.20251027 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20260101 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250614 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-016590
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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: 5g, 10g
  • Available purity: ＞97%
  • 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 116650-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

116650-33-0 / (3R)-2,3,4,9-tetrahydro-1H-carbazol-3-amine

2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile | RefChem:454669 | 622-414-6

Standard CAS: 116650-33-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116650-33-0
Multi CAS
Yes
Molecular Formula
C12H14N2
Molecular Weight
186.250000
Exact Mass
186.115698
SMILES
C1CC2=C(C[C@@H]1N)C3=CC=CC=C3N2
InChI
InChI=1S/C12H14N2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-4,8,14H,5-7,13H2/t8-/m1/s1
InChIKey
UFRCIKMHUAOIAT-MRVPVSSYSA-N
Synonyms
2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile RefChem:454669 622-414-6 Propanedinitrile, (3,5,5-trimethyl-2-cyclohexen-1-ylidene)- (3,5,5-Trimethylcyclohex-2-enylidene)malononitrile

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
2
Molar refractivity
58.3
TPSA
41.81

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
1.9
Consensus LogP
1.87
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

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