3-Amino-1-(2-(morpholin-4-yl)ethyl)thiourea

HCID 736209
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
77644-45-2
Standard SMILES
NNC(=S)NCCN1CCOCC1
InChIKey
OBGPRENQQPWJOC-UHFFFAOYSA-N
Molecular formula
C7H16N4OS
Average molar mass
204.3 g/mol
Monoisotopic mass
204.10448213

Names & identifiers

Preferred name
3-Amino-1-(2-(morpholin-4-yl)ethyl)thiourea
IUPAC
1-amino-3-(2-morpholin-4-ylethyl)thiourea
English name
4-[2-(4-Morpholino)ethyl]-3-thiosemicarbazide
Molecular formula
C7H16N4OS
Molecular weight
204.29

Names & synonyms

3-amino-1-[2-(morpholin-4-yl)ethyl]thiourea3-Amino-1-(2-(morpholin-4-yl)ethyl)thioureaRefChem:496718673-717-577644-45-24-(2-Morpholinoethyl)-3-thiosemicarbazide4-[2-(4-morpholinyl)ethyl]-3-thiosemicarbazide1-amino-3-(2-morpholin-4-ylethyl)thioureaMFCD00041220C7H16N4OS4-[2-(4-morpholino)ethyl]-3-thiosemicarbazide4-(2-morpholinoethyl)thiosemicarbazide
Show more names
N-(2-morpholinoethyl)hydrazinecarbothioamide2-MORPHOLINOETHYLTHIOSEMICARBAZIDE1-amino-3-[2-(4-morpholinyl)ethyl]thiourea4-[2-(4-MORPHOLINO)ETHYL]-3-THIOSEMICARBAZIDE, 98+%Hydrazinecarbothioamide, N-[2-(4-morpholinyl)ethyl]-
n-[2-(morpholin-4-yl)ethyl]hydrazinecarbothioamideNSC370370SCHEMBL6210691DTXSID70352962OBGPRENQQPWJOC-UHFFFAOYSA-NCDA64445AKOS001044592FS-4788

Database identifiers

CAS
77644-45-2
PubChem CID
736209
DTXSID
DTXSID70352962
EC Number
673-717-5
Nikkaji
J2.339.381F

Properties

Computed structural properties

XLogP
-1.1
Topological polar surface area
94.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
13

Physicochemical properties

Melting point
168 · 168-170°C
Boiling point
340.6 · 340.6±52.0 °C(Predicted)
Density
1.209 · 1.209±0.06 g/cm3(Predicted)
pka
10.69 · 10.69±0.70(Predicted)
BRN
4733425 · 4733425
Symbol(GHS)
6 · GHS06

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (85.7%)

Safety data

ridadr
2811
risk_code
22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS06
safety_code
26-36/37/39
hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Suppliers17 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

Loading…