[email protected]
CAS 101167-13-9 7-NITRO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE molecular structure lightbox
CAS RN: 101167-13-9

7-NITRO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250104 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-002019
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: 1g
  • 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 101167-13-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

101167-13-9 / 7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine

7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine | 7-NITRO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE | 2-Naphthalenamine, 1,2,3,4-tetrahydro-7-nitro-

Standard CAS: 101167-13-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101167-13-9
Multi CAS
No
Molecular Formula
C10H12N2O2
Molecular Weight
192.210000
Exact Mass
192.089878
SMILES
C1CC2=C(CC1N)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O2/c11-9-3-1-7-2-4-10(12(13)14)6-8(7)5-9/h2,4,6,9H,1,3,5,11H2
InChIKey
MLQQVSKLPBROCW-UHFFFAOYSA-N
Synonyms
7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine 7-NITRO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE 2-Naphthalenamine, 1,2,3,4-tetrahydro-7-nitro- MFCD06739161 7-NITRO-1,2,3,4-TETRAHYDRO-2-NAPHTHALENAMINE

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.1
TPSA
69.16

LogP / Solubility

WLOGP
1.41
MLOGP
1.24
XLogP3
1.9
Consensus LogP
1.52
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.89

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us