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CAS 1033772-47-2 Bis[(2-diMethylaMino)phenyl]aMine Nickel(II) Chloride molecular structure lightbox
CAS RN: 1033772-47-2

Bis[(2-diMethylaMino)phenyl]aMine Nickel(II) Chloride

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260526 100mg Out of stock Inquiry
Batchno.20260331 1g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251027 250mg In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250729 5g In stock Shenzhen Inquiry
  • Product code: SSC-004881
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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: ＞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 1033772-47-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1033772-47-2 / 1-N-[2-(dimethylamino)phenyl]-2-N,2-N-dimethylbenzene-1,2-diamine;nickel(2+);dichloride

Bis[(2-dimethylamino)phenyl]amine nickel(II) chloride | 1-N-[2-(dimethylamino)phenyl]-2-N,2-N-dimethylbenzene-1,2-diamine;nickel(2+);dichloride | Nickamine

Standard CAS: 1033772-47-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1033772-47-2
Multi CAS
Yes
Molecular Formula
C16H21Cl2N3Ni
Molecular Weight
385.000000
Exact Mass
383.046595
SMILES
CN(C)C1=CC=CC=C1NC2=CC=CC=C2N(C)C.[Cl-].[Cl-].[Ni+2]
InChI
InChI=1S/C16H21N3.2ClH.Ni/c1-18(2)15-11-7-5-9-13(15)17-14-10-6-8-12-16(14)19(3)4;;;/h5-12,17H,1-4H3;2*1H;/q;;;+2/p-2
InChIKey
BTHDYGGYBYTZGI-UHFFFAOYSA-L
Synonyms
Bis[(2-dimethylamino)phenyl]amine nickel(II) chloride 1-N-[2-(dimethylamino)phenyl]-2-N,2-N-dimethylbenzene-1,2-diamine;nickel(2+);dichloride Nickamine MFCD17015253 C16H21Cl2N3Ni

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.82
TPSA
18.51

LogP / Solubility

WLOGP
-2.43
MLOGP
-2.12
XLogP3
-2.43
Consensus LogP
-2.33
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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