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6-Aminochrysene

6-Aminochrysene structure

CAS No:
2642-98-0
Formula:
C18H13N
Chemical Name:
6-Aminochrysene
Synonyms:
6-Chrysenamine;6-Aminochrysene;Chrysenex;Chrysonex;NSC 80186
Categories:
Chemical Reagents > Organic Reagents

Description

6-Aminochrysene (6-Aminochrysene) is an aromatic amine used as a chemotherapeutic agent in the treatment of splenomegaly, myeloid leukemia, and breast cancer.

6-chrysenamine is a carbopolycyclic compound.

6-Aminochrysene Basic Attributes

Molecular Weight：

243.3

Exact Mass：

243.30

EC Number：

220-149-7

UNII：

I56L81BL2L

NSC Number：

80186

DSSTox ID：

DTXSID70181017

HScode：

2921499090

Characteristics

PSA：

XLogP3：

4.63

Density：

1.3±0.1 g/cm3

Melting Point：

210.5 °C

Boiling Point：

501.2±19.0 °C at 760 mmHg

Flash Point：

286.9±16.8 °C

Refractive Index：

1.814

Water Solubility：

155ug/L(24 ºC)

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

45-36/37/39-26

RTECS Number：

GC0500000

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Toxicity

Mobility：

1.62e+05 L/kg

Drug Information

MeSH：

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

Metabolism/Metabolites：

6-chrysenamine has known human metabolites that include 6-MeC-1,2-diol and N-Hydroxychrysene.

MeSH Entry Terms：

6-aminochrysene

Computed Properties

Molecular Weight:243.3
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:243.104799419
Monoisotopic Mass:243.104799419
Topological Polar Surface Area:26
Heavy Atom Count:19
Complexity:326
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes