CAS 90-30-2 N-Phenyl-1-naphthylamine molecular structure

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CAS RN: 90-30-2

N-Phenyl-1-naphthylamine

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1 package records1 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250406	5g / 25g / 100g / 500g / 2.5kg	Confirm by inquiry	Shanghai, Shandong, Guangdong, Chongqing, Hebei	Inquiry

Product code: SSC-202275

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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: 500g
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 90-30-2
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
500g	＞97%	0 Out of Stock	Beijing	Inquiry

90-30-2 / N-phenylnaphthalen-1-amine

Standard CAS: 90-30-2 Multi CAS: Yes

Basic Information Physical Properties Computed Properties

Basic Information

CAS

90-30-2

Multi CAS

Yes

Molecular Formula

C16H13N

Molecular Weight

219.280000

Exact Mass

219.104799

InChI

InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H

InChIKey

XQVWYOYUZDUNRW-UHFFFAOYSA-N

Physical Properties

Melting Point

144 °F (NTP, 1992) 61 °C 62-63 °C

Boiling Point

635 °F at 528 mmHg (NTP, 1992) 335 °C @ 558 mm Hg

Density

Relative density (water = 1): 1.2

Physical Description

N-phenyl-1-naphthylamine appears as white to slightly yellowish prisms or reddish brown crystalline powder. (NTP, 1992) Liquid; Pellets or Large Crystals; Pellets or Large Crystals, Liquid, Other Solid White to slightly yellowish solid; [Hawley] Commercial grade is light brown to dark violet; [HSDB] Brown solid; WHITE-TO-SLIGHTLY-YELLOWISH CRYSTALS.

Appearance

Prisms or needles from alcohol; leaflets from ligroin. Tan to purple crushed solid or crystals. White to yellowish crystals In its pure form crystallizes into lemon yellow prisms or needles ... marketed in the form of brown to dark violet crystals or light brown to light violet granules

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

73.67

TPSA

12.03

LogP / Solubility

WLOGP

4.58

MLOGP

4.04

XLogP3

4.4

Consensus LogP

4.34

Log S (ESOL)

-4.65

Class (ESOL)

Slightly soluble

Log S (Ali)

-4.67

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-5.13

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-0.8

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

N-Phenyl-1-naphthylamine

Product Availability

Historical Supply Reference

Reference Pack Sizes

90-30-2 / N-phenylnaphthalen-1-amine

Basic Information

Physical Properties

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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