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5-Aminoisoquinoline

5-Aminoisoquinoline structure

CAS No:
1125-60-6
Formula:
C9H8N2
Chemical Name:
5-Aminoisoquinoline
Synonyms:
5-Isoquinolinamine;Isoquinoline,5-amino-;5-Aminoisoquinoline;(Isoquinolin-5-yl)amine;NSC 46880;SID 4248661
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light Yellow Solid

5-Aminoisoquinoline Basic Attributes

Molecular Weight：

144.17

Exact Mass：

144.17

BRN：

114465

EC Number：

214-408-3

UNII：

LDJ0JLN1Y7

NSC Number：

46880

DSSTox ID：

DTXSID80150077

HScode：

29334900

Characteristics

PSA：

38.9

XLogP3：

1.4

Appearance：

Yellow-brown Crystalline Powder

Density：

1.1148 (estimate)

Melting Point：

128 °C

Boiling Point：

312.78°C (estimate)

Flash Point：

183.3±8.1 °C

Refractive Index：

1.7080 (estimate)

Water Solubility：

1.4 [ug/mL]

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.000977mmHg at 25°C

Safety Information

Packing level：

III

wgk germany：

hazard class code：

38-20/21/22-36/37/38

safety instructions：

36/37/39-26-37/39-36

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (13.04%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-aminoisoquinoline

5-Aminoisoquinoline Use and Manufacturing

Used for synthesis of Rho kinase inhibitors.

Computed Properties

Molecular Weight:144.17
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:144.068748264
Monoisotopic Mass:144.068748264
Topological Polar Surface Area:38.9
Heavy Atom Count:11
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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