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3-아미노프로판올

3-Amino-1-propanol

HCID 9086
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
156-87-6
표준 SMILES
NCCCO
InChIKey
WUGQZFFCHPXWKQ-UHFFFAOYSA-N
분자식
C3H9NO
평균 분자량
75.11 g/mol
단동위원소 질량
75.06841391

개요

N-propanolamine is a colorless to pale yellow liquid with a fishy odor. Less dense than water. Melting point 12.4 °C (54 °F). Moderately toxic by ingestion.

이름 및 식별자

우선 이름
3-Amino-1-propanol
IUPAC
3-aminopropan-1-ol
현지명
3-아미노프로판올
영어명
3-Aminopropanol
분자식
C3H9NO
분자량
75.11

이름 및 동의어

3-Aminopropan-1-ol3-Aminopropanol3-Amino-1-propanol156-87-61-Propanol, 3-amino-PROPANOLAMINE3-Propanolamine3-Aminopropyl alcohol3-Hydroxypropylamine1-Amino-3-propanol1,3-Propanolamine1-Amino-3-hydroxypropane
이름 더 보기
3-아미노-1-프로파놀3-아미노프로파놀3-아미노프로판올프로판올아민3-아미노-1-프로판올monopropanolamine3-Hydroxy-1-aminopropane3-AIMNOPROPANOL
beta-Alaninolgamma-Aminopropanol3-Hydroxy-1-propylaminegamma-Hydroxy-1-propylamineYMA7C44XGYNSC-7766DTXSID0059746CHEBI:143408

데이터베이스 식별자

CAS
156-87-6
PubChem CID
9086
DTXSID
DTXSID0059746
ChEMBL
CHEMBL115530
ChEBI
CHEBI:143408
UNII
YMA7C44XGY
EC Number
205-864-4
Nikkaji
J2.560G

물성

구조 계산 물성보충 중

XLogP
-1.1
극성 표면적
46.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
5
형식 전하
0
복잡도
16.4

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP-1.12
Density · 3건

0.982 at 68 °F (USCG, 1999) - Less dense than water; will float

0.9824 @ 26 °C/4 °C

0.985 @25 °C

Color/FormCOLORLESS LIQUID
Solubility · 2건

SOL IN WATER, ALCOHOL & ETHER

MISCIBLE WITH ACETONE & CHLOROFORM

Flash Point · 2건

175 °F (USCG, 1999)

175 °F

Boiling Point · 3건

369.5 °F at 760 mmHg (USCG, 1999)

187-188 °C @ 756 MM HG

187 °C @760 [mm Hg]

Melting Point · 3건

52 °F (USCG, 1999)

12.4 °C

-2 °C

Vapor Pressure · 2건

0.07 [mmHg]

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.4% (1 of 259) of reports.

Danger

H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 259 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 4건

Chemical: 1-Propanol, 3-amino-

1-Propanol, 3-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol, 3-amino- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: 3-aminopropan-1-ol (EC: 205-864-4)

3-Amino-1-propanol: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsSpecial Hazards of Combustion Products: Toxic oxides of nitrogen may form in fire.
Health HazardsIf inhaled may be harmful. Contact may cause burns to skin and eyes. (Organic base.) (USCG, 1999)
Hazards Summary · 1건

A severe eye and moderate to severe skin irritant; [RTECS] Moderately toxic by ingestion; [CAMEO] A moderate irritant; [HSDB] A fairly severe skin irritant that may cause second-degree burns following a few minutes contact; Causes irritation or burns to eyes; Vapors cause moderate irritation; [CHRIS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS]

화학 및 산업

용도 및 제조

Uses · 3건

Used as a chemical intermediate; [HSDB]

CHEM INT FOR DEXPANTHENOL, A GASTROINTESTINAL DRUG

Organic intermediate

U.S. Exports · 2건

(1977) No Data

(1979) No Data

U.S. Imports · 2건

(1977) No Data

(1979) No Data

U.S. Production · 3건

2023: 100,000 - <250,000 lb

(1977) No Data

(1980) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Industry UsesOther
Formulations/PreparationsGRADE: 99% PURE.
General Manufacturing Information · 2건

Oil and Gas Drilling, Extraction, and Support activities

1-Propanol, 3-amino-: ACTIVE

응용 분야

용도Organic intermediate.

일반 설명Colorless to pale yellow liquid with a fishy odor. Less dense than water. Melting point 12.4°C (54°F). Moderately toxic by ingestion.

상·하류 제품 정보

상류 원료

L-알라닌

하류 제품

Azetidine3-아미노프로판알아미노프로필비닐에테르

관련 반응

925건
반응 기록 만들기
HRID 1104 반응식
HRID 1104반응물로uspto-grants-1998_03
HRID 2150 반응식
HRID 2150반응물로uspto-grants-1998_03
HRID 5447 반응식
HRID 5447반응물로uspto-grants-1993_09
HRID 5471 반응식
HRID 5471반응물로uspto-grants-1993_09
HRID 8085 반응식
HRID 8085반응물로uspto-grants-2006_08
HRID 9900 반응식
HRID 9900반응물로uspto-grants-2006_08
HRID 12995 반응식
HRID 12995반응물로uspto-grants-2010_06
HRID 13002 반응식
HRID 13002반응물로uspto-grants-2010_06
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화합물 노트

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0.4 [mm Hg] @25 °C

Refractive IndexINDEX OF REFRACTION: 1.4617 @ 20 °C
Physical Description · 3건

N-propanolamine is a colorless to pale yellow liquid with a fishy odor. Less dense than water. Melting point 12.4 °C (54 °F). Moderately toxic by ingestion.

CBI; Liquid

Colorless to pale yellow liquid with a fishy odor; mp = 12.4 deg C; [CAMEO] Colorless liquid with an odor of amines; mp = 11 deg C; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
10 · 10-12 °C (lit.)
끓는 점
184 · 184-187 °C (lit.)
밀도
0.982 g/mL · 0.982 g/mL at 20 °C (lit.)
증기 밀도
2.59 · 2.59 (vs air)
증기압
2.1 mm · 2.1 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.4598(lit.)
인화점
175 °F · 175 °F
저장 조건
30 °C · Store below +30°C.
용해도
물에 용해
물리적 상태
액체
산도 계수 (pKa)
1 · pK1: 9.96(+1) (25°C)
Specific Gravity
0.99 · 0.990 (20/4℃)
색상
투명하고 무색에서 아주 약간 노란색을 띤다.
수소이온지수(pH)
11.6 · 11.6 (10g/l, H2O, 20℃)
폭발한계
2.5 · 2.5-10.6%(V)
수용성
혼용 가능
BRN
741855 · 741855
안정성
흡습성
InChI
1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
InChIKey
WUGQZFFCHPXWKQ-UHFFFAOYSA-N
SMILES
NCCCO
LogP
-1.1 at · -1.1 at 20℃
NIST
1 · 1-Propanol, 3-amino-(156-87-6)
EPA
3 · 3-Aminopropanol (156-87-6)

화학적 성질

clear colourless to very slightly yellow liquid

Reactive GroupAlcohols and Polyols
Reactivity Profile · 1건

N-PROPANOLAMINE neutralizes acids to form salts plus water in an exothermic reaction. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Reacts with strong reducing agents, such as hydrides to generate flammable gaseous hydrogen.

Air and Water ReactionsWater soluble.
Hazard Classes and Categories · 2건

Acute Tox. 4 (92.7%)

Flammable liquids - Category 4

안전 및 보호

Fire FightingFire Extinguishing Agents: Small fires: Dry chemical, CO2, water spray or alcohol foam. Large fires: Water spray, fog or alcohol foam. (USCG, 1999)
First AidINHALATION: Move victim to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Nonfire Spill ResponseNeutralizing Agents for Acids and Caustics: Cover spilled material with sodium bisulfate. Flush with water. (USCG, 1999)
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Protective Action Criteria (PAC) · 3건

4.0 [mg/m3]

44 [mg/m3]

270 [mg/m3]

Personal Protective Equipment (PPE)Wear butyl rubber gloves and face shield or all-purpose canister respirator for spills. Wear self-contained breathing apparatus and full protective clothing for fires. (USCG, 1999)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity ExcerptsMODERATELY TOXIC BY INGESTION; MODERATE IRRITANT TO TISSUE.

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
UA5600000
ridadr
UN 2735 8/PG 2
독성
LD50 orally in Rabbit: 1300 mg/kg LD50 dermal Rat > 2000 mg/kg
HS 번호
29221980
risk_code
22-34-20/21/22
hazard_code
C,Xn
safety_code
26-36/37/39-45
포장분류
II
위험 등급
8
기존화학 물질
KE-01568
자연 발화 온도
770 °F
Hazard Classifications
Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스
8A - Combustible corrosive hazardous materials
유해 물질 데이터
156-87-6(Hazardous Substances Data)
3-(이소프로필아미노)-프로판-1-OL
3-(벤질록시)프로판-1-아민
벤질N-(3-하이드록시프로필)카바메이트
(3-OXO-PROPYL)-CARBAMICACIDTERT-부틸에스테르
3-chloropropylamine