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CAS 101252-73-7 (2-chloro-6-nitrophenyl)methanamine molecular structure lightbox
CAS RN: 101252-73-7

(2-chloro-6-nitrophenyl)methanamine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-002099
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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: 1g
  • 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 101252-73-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

101252-73-7 / (2-chloro-6-nitrophenyl)methanamine

(2-chloro-6-nitrophenyl)methanamine | DTXSID00330177 | RefChem:205914

Standard CAS: 101252-73-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101252-73-7
Multi CAS
No
Molecular Formula
C7H7ClN2O2
Molecular Weight
186.590000
Exact Mass
186.019605
SMILES
C1=CC(=C(C(=C1)Cl)CN)[N+](=O)[O-]
InChI
InChI=1S/C7H7ClN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H,4,9H2
InChIKey
SPLDTOFRTGVWKF-UHFFFAOYSA-N
Synonyms
(2-chloro-6-nitrophenyl)methanamine DTXSID00330177 RefChem:205914 DTXCID60281272 Benzenemethanamine, 2-chloro-6-nitro-

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46
TPSA
69.16

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.6
Consensus LogP
1.6
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.65

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
1.5

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