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Pterin

Pterin structure

CAS No:
2236-60-4
Formula:
C6H5N5O
Chemical Name:
Pterin
Synonyms:
4(3H)-Pteridinone,2-amino-;4(1H)-Pteridinone,2-amino-;2-Amino-4(3H)-pteridinone;Pterin;2-Amino-4-hydroxypteridine;Pteridoxamine;2-Amino-4-pteridone;4-Oxopterin;4-Oxo-2-aminopteridine;2-Amino-4(1H)-pteridinone;2-Amino-4-oxopteridine;2-Aminopteridin-4-one;Pterine;NSC 11540;NSC 170929;NSC 18696;2-Amino-1,4-dihydropteridin-4-one;2-Amino-4,8-dihydropteridin-4-one;2-Aminopteridin-4-ol;2-Amino-1H-pteridin-4-one;2-Amino-3,4-dihydropteridin-4-one;100643-15-0;938-42-1;27839-95-8
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

YELLOW-BEIGE CRYSTALLINE POWDER

Solid

2-aminopteridin-4-ol is a 2-amino-4-hydroxypteridine. It is a tautomer of a 2-aminopteridin-4(3H)-one and a 2-aminopteridin-4(1H)-one.

Pterin Basic Attributes

Molecular Weight：

163.14

Exact Mass：

163.14

EC Number：

218-799-1

UNII：

85MA24E1NH

NSC Number：

170929|18696|11540

DSSTox ID：

DTXSID40176894

HScode：

29335990

Characteristics

PSA：

93.3

XLogP3：

-1.4

Appearance：

Solid

Density：

1.91g/cm3

Melting Point：

>360 °C

Boiling Point：

424.7°C at 760 mmHg

Flash Point：

210.7ºC

Refractive Index：

1.917

Water Solubility：

17.54mg/L(22.5 ºC)

Storage Conditions：

2-8°C

Collision Cross Section：

128.6 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|143.4 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|128.1 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|128.7 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

UO3505000

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:163.14
XLogP3:-1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:163.04940980
Monoisotopic Mass:163.04940980
Topological Polar Surface Area:93.3
Heavy Atom Count:12
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Glyoxal